Diisopropyl sulfide
Structural formula
| Business number | 06SF |
|---|---|
| Molecular formula | C6H14S |
| Molecular weight | 118.24 |
| label |
2,2′-thiodipropane, isopropyl sulfide, Isopropyl sulfide, 2,2′-Thiobispropane, [(CH3)2CH]2S |
Numbering system
CAS number:625-80-9
MDL number:MFCD00008895
EINECS number:210-911-7
RTECS number:None
BRN number:1731257
PubChem number:24896004
Physical property data
1. Characteristics: liquid.
2. Density (g/mL,25/4℃): 0.814
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): 120
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.4379
8. Flash point (ºC): 7
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Not soluble in water.
Toxicological data
None yet
Ecological data
Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.
Molecular structure data
1. Moore refraction Rate: 37.76
2. Molar Volume (cm3/mol):142.2
3. isotonic ratio (90.2K):316.2
4. Surface Tension (dyne/cm）：34.4
5. Polarization Rate（10-24cm3):14.96
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 25.3
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 33.4
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
Keep away from oxides.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
Can be used as pharmaceutical intermediates
