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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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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