Structural formula
Business number | 02N1 |
---|---|
Molecular formula | C14H14S2 |
Molecular weight | 246.39 |
label |
Di-p-tolyl Disulfide |
Numbering system
CAS number:103-19-5
MDL number:MFCD00008547
EINECS number:203-087-5
RTECS number:JO1526250
BRN number:None
PubChem number:24900182
Physical property data
1. Characteristics: Undetermined
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1 ): Undetermined
4. Melting point (ºC): 43-46
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 5mmHg): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation Degree (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC): Undetermined
12. Saturated vapor pressure (kPa, 30ºC): 0.16×10-5
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility : Undetermined
Toxicological data
Other multiple dose toxicity: rat oral TDLo: 431mg/kg/7D-I;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 76.73
2. Molar volume (cm3/mol): 210.4
3. Isotonic specific volume (90.2K ): 558.7
4. Surface tension (dyne/cm): 49.7
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 30.42
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: 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: 16
8. Surface charge: 0
9. Complexity: 167
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