Tert-Butyl Sulfide tert-Butyl Sulfide
Structural formula
| Business number | 02VC |
|---|---|
| Molecular formula | C8H18S |
| Molecular weight | 146.29 |
| label |
tert-butyl sulfide, Di-tert-butyl sulfide, Di-tert-butyl sulfide, tert-butyl sulfide, Di-tert-butyl Sulfide |
Numbering system
CAS number:107-47-1
MDL number:MFCD00008839
EINECS number:203-493-2
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: Undetermined
2. Density (g/mL, 25℃): 0.815
3. Relative vapor density (g/mL, air=1) : Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 148-149
6. Boiling point ( ºC, kPa): Not determined
7. Refractive index (D20): Not determined
8. Flash point (ºC): 26
9. Specific rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC): Undetermined
12. Saturation vapor pressure (kPa, ºC): 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 the distribution coefficient (water): Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 47.04
2. Molar volume (cm3/mol): 174.6
3. Isotonic specific volume (90.2K ): 391.2
4. Surface tension (dyne/cm): 25.1
5. Polarizability (10-24cm3): 18.64
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
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: 9
8. Surface charge: 0
9. Complexity: 69.7
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
None
Storage method
None
Synthesis method
None
Purpose
None
