Di-t-butyl Disulfide Di-t-butyl Disulfide

Structural formula

Business number	030J
Molecular formula	C8H18S2
Molecular weight	178.36
label	tert-butyl disulfide, tert-butyl disulfide, tert-butyl disulfide, Bis(1,1-dimethylethyl) disulfide, t-Butyldisulfide, linear compound

• 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:110-06-5

MDL number:MFCD00008838

EINECS number:203-734-1

RTECS number:None

BRN number:1698170

PubChem number:24854874

Physical property data

1. Characteristics: Liquid

2. Density（g/mL,20℃）：0.923

3. Relative vapor density (g/mL,air =1): 5

4. Melting point (ºC): -5

5. Boiling point (ºC,normal pressure): 200-201

6. Boiling point (ºC, kPa): Not determined

7. Refractive index: 1.490

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 37.7ºC): 51.7

12. Saturated 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 partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 55.03

2. Molar volume (m³/mol）：188.6

3. isotonic specific volume (90.2K):441.9

4. Surface Tension (dyne/cm):30.1

5. Polarizability（10^-24cm³):21.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 50.6

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 80.8

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

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5. Polarizability（10^-24cm³):21.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 50.6

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 80.8

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

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet