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