tert-butyl sulfide tert-butyl sulfide

structural formula

• 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: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