2-(4-morpholinodithio)benzothiazole

2-(4-morpholinodithio)benzothiazole structural formula

Structural formula

Physical competition number 028Z
Molecular formula C11H12N2OS3
Molecular weight 284.35
label

accelerator MDB,

Accelerator DS,

Accelerator MDB,

promoter DS,

Vulcanizing agent

Numbering system

CAS number:95-32-9

MDL number:MFCD00059033

EINECS number:202-410-7

RTECS number:DL5953000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Industrial product is light yellow powder

2. Relative density (g/mL, 20?): 1.51

3. Relative vapor density (g/mL , air=1): Not determined

4. Melting point (ºC): 123-135

5. Boiling point (ºC, normal pressure): Not determined

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined Determined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical Temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

p>

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Dissolution Properties: Soluble in chloroform, slightly soluble in carbon disulfide and acetone, insoluble in benzene, petroleum ether, ethanol and water.

Toxicological data

Acute toxicity: Mouse oral LD50: 3mg/kg

Ecological data

Slightly harmful to water bodies.

Molecular structure data

1. Molar refractive index: 78.38

2. Molar volume (cm3/mol): 194.7

3. Isotonic specific volume (90.2K ): 571.2

4. Surface tension (dyne/cm): 74.0

5. Dielectric constant (F/m):

6. Dipole Distance (D):

7, Polarizability (10-24cm3): 31.07

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 104

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 251

10. Number of isotope atoms: 0

11. Determine the atomic stereocenter Quantity: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain chemical bonds Number of stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Soluble in chloroform, slightly soluble in carbon disulfide and acetone, insoluble in benzene, petroleum ether, ethanol and water.
2. This product is non-toxic.

Storage method

Store at low temperature and dry place

Synthesis method

1. The accelerator MDB is prepared by reacting the accelerator M with morpholine and sulfur monochloride;

2. Heat 36g accelerator M, 36g morpholine, 7g sulfur and 100ml isopropyl alcohol to 65-70°C, then slowly heat the mixture Slowly treat with 120ml of 1.5mol sodium hypochlorite, and then stir at 55-65°C for 0.5h. After washing, the product is added to the accelerator MDB.

3. Add 100ml ethanol solution ( (containing 20.5g of dimorpholine monosulfide) was mixed and reacted with another 100ml ethanol solution containing 17g of accelerator M. After 5 hours, the reactant was cooled and filtered to obtain the accelerator MDB.

4. Add the accelerator NOBS26g, 3.2g of sulfur, 150ml of ethanol and 8.5g of morpholine were refluxed together for 2 hours. After the reactants were cooled and filtered, the accelerator MDB was obtained.

5. Combine morpholine monosulfide , accelerator DM, refluxed with morpholine and methanol. After 1 hour, the reactant was cooled and filtered to obtain MDB.

Purpose

This product is used as a post-effect vulcanization accelerator for rubber and can also be used as a vulcanizing agent. When used as an accelerator, its performance in natural rubber is similar to that of the accelerator CZ (N-cyclohexyl-2-benzothiazole sulfenamide), but the delay is slightly greater. When used in 54.1 (W type) chloroprene rubber, it is equipped with the accelerator PZ (zinc dimethyldithiocarbamate), which can speed up the vulcanization speed, has good scorch performance, and has excellent physical properties of the product. When used in styrene-butadiene rubber, the scorch performance is poorer than the accelerator CZ. It can be combined with stearic acid to promote scorch and improve the tensile strength. When used as vulcanizing agent, it is advisable to add a small amount of thiuram or dithiocarbamate accelerator, which can increase the vulcanization speed and improve the aging resistance of the product. This product is easily dispersed in rubber and has almost no pollution. Mainly used in the manufacture of tires, inner tubes, rubber shoes, sponges, industrial products, etc. When used as a vulcanizing agent, the dosage is 2.5 to 5 parts, combined with about 1 part of accelerator PZ. When used as an accelerator, the general dosage is 0.4 to 1.5 parts.

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N-tert-butyl-2-benzothiazole sulfinamide

N-tert-butyl-2-benzothiazole sulfenamide structural formula

Structural formula

Physical competition number 028Y
Molecular formula C11H14N2S2
Molecular weight 238.38
label

accelerator NS,

N-(1,1-dimethylethyl)-2-benzothiazole sulfinamide,

N-tert-butyl-2-benzothiazole sulfenamide,

accelerator TBBS,

Accelerator NS,

N-(1,1 – dimethyl-ethyl) -2 – benzothiazolyl Asia sulfonamide,

N-tert-butyl-2-benzothiazolyl sulfenamide,

accelerator TBBS,

Slow-acting sulfenamide accelerator

Numbering system

CAS number:95-31-8

MDL number:MFCD00022873

EINECS number:202-409-1

RTECS number:DL6200000

BRN number:158370

PubChem ID:None

Physical property data

1. Properties: The industrial product is light yellow or tan powder.

2. Relative density (g/mL, 20?): 1.26-1.32

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 105-110

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, KPa): Undetermined Determined

7. Refractive index: Undetermined

8. Flash point (ºC): 165

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor Pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in benzene, methylene chloride, tetrahydrofuran Carbon chloride, ethyl acetate, acetone, ethanol, soluble in gasoline, insoluble in water, dilute acid, dilute alkali solution.

Toxicological data

1. Acute toxicity: Rat oral LDLo: 7940mg/kg; mouse abdominal LD50: 5mg/kg; mouse intravenous LD50: 180mg/kg; rabbit skin contact LD50: >7940mg/kg;

2. Mutagenicity

Mouse lymphocyte mutation: 40mg/L;

Rat embryonic morphological transformation: 35mg/L;

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 70.43

2. Molar volume (cm3/mol): 194.9

3. Isotonic specific volume (90.2K ): 526.1

4. Surface tension (dyne/cm): 53.0

5. Polarizability (10-24cm3): 27.92

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 78.5

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 215

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides.

Storage method

Save sealed in a cool, dry place away from direct sunlight. Make sure the workspace has good ventilation. Keep sealed. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

By2-Thiobenzothiazole (acceleratorM) obtained by reacting sodium salt with tert-butylamine. to0.5molof13%AcceleratorM slowly added to the sodium salt solution0.75molTertiary butylamine, add after half an hour0.36molof25%Sulfuric acid solution, in45-50? reaction0.5h. Again2h<span style="font-family:??;FONT-SIZE 0.6mol15%Sodium hypochlorite. After the reaction, cool, filter and wash, 50 Products dried below ?.

Purpose

Can be used for the after-effects of reclaimed rubber of natural rubber, butadiene rubber, isoprene rubber, styrene-butadiene rubber and natural rubber Sex enhancer. This product has the advantages of excellent scorch resistance and short vulcanization time, that is, there is no danger of scorch at the operating temperature, but it has a strong promotion effect at the vulcanization temperature, especially in natural rubber, which has greater aftereffects. This product requires zinc oxide and stearic acid, and can also be activated by thiuram, dithiocarbamates, aldehydeamines, guanidine accelerators and acidic substances. This product has slight contamination and almost no discoloration. It can be used to make light-colored or bright-colored rubber products, mainly used to make tires, rubber shoes, hoses, tapes, cables and general industrial products.

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4-hydroxy-2-mercapto-6-propylpyrimidine

4-hydroxy-2-mercapto-6-propylpyrimidine structural formula

Structural formula

Physical competition number 014Z
Molecular formula C7H10N2OS
Molecular weight 170.23
label

propylthiouracil,

6-propyl-2-thio-2,3-dihydro-4(1H)-pyrimidinone,

propylthiouracil,

6-propyl-2-thiouracil,

4-Hydroxy-2-mercapto-6-propylpyrimidine

Numbering system

CAS number:51-52-5

MDL number:MFCD00006041

EINECS number:200-103-2

RTECS number:YR1400000

BRN number:130039

PubChem number:24898446

Physical property data

1. Properties: White crystalline powder. Bitter taste.

2. Density (g/mL, 25/4?): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 218-221

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): [ ?]54621 +2.97° (0.74g dissolved in 6g 0.5mol/L sodium hydroxide + 14g ethanol)

10. Autoignition point or Ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Not determined

p>

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined Determined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Very slightly soluble in water, slightly soluble in ethanol, ether, and chloroform. Easily soluble in ammonia test solution and sodium hydroxide solution.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 46.67

2. Molar volume (cm3/mol): 136.2

3. Isotonic specific volume (90.2K ): 375.4

4. Surface tension (dyne/cm): 57.6

5. Polarizability (10-24cm3): 18.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.8

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 17

6. Topological molecule polar surface area 73.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 223

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain chemical bond stereocenters Number of centers: 0

15. Number of covalent bond units: 1

Properties and stability

Use with caution by pregnant and lactating women. It should not be used in patients with nodular goiter combined with hyperthyroidism or thyroid cancer. Care must be taken when using sulfonamides, para-aminosalicylic acid, phenylbutazone, vitamin B12, tolasulin, sulfonylureas, barbiturates, etc. in combination. Avoid taking iodine before taking it.

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

It is obtained by the condensation of ?-oxohexanoic acid ester and thiourea. It is also obtained by the condensation of butyryl ethyl acetate and thiourea.

Purpose

Antithyroid drugs. Used to combat hyperthyroidism, toxic goiter, or in preparation for thyroid surgery. Biochemical research.

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