Structural formula
| Business number | 01JH |
|---|---|
| Molecular formula | C3H8S |
| Molecular weight | 76.16 |
| label |
isopropyl mercaptan, Thioisopropanol, 2-propanethiol, 1-methylisothiol, 1-Methylethanethiol, 2-Mercaptopropane, Isopropyl mercaptan, Sulfur compound solvents, alcohol compounds |
Numbering system
CAS number:75-33-2
MDL number:MFCD00004863
EINECS number:200-861-4
RTECS number:TZ7302000
BRN number:605260
PubChem number:24881336
Physical property data
1. Properties: Colorless volatile liquid with special odor.
2. Density (g/mL, 25/4?): 0.8143
3. Melting point (ºC): -130.54
4. Boiling point (ºC , normal pressure): 52.6
5. Refractive index (20ºC): 1.4225
6. Flash point (ºC): -34.4
7. Solubility : Miscible with ethanol and ether, easily soluble in acetone, slightly soluble in water.
Toxicological data
The vapor is toxic if inhaled. Irritating to eyes, respiratory system and skin.
Ecological data
None
Molecular structure data
1. Molar refractive index: 23.80
2. Molar volume (cm3/mol): 92.4
3. Isotonic specific volume (90.2K ): 200.7
4. Surface tension (dyne/cm): 22.2
5. Polarizability (10-24cm3): 9.43
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.3
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 1
7. Number of heavy atoms: 4
8. Surface charge: 0
9. Complexity: 10.8
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
1. Highly flammable.
2. Exist in smoke.
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
None
Purpose
Used as solvent and organic synthesis intermediate.
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