1,4-benzenedimethanethiol 1,4-benzenedimethanethiol
structural formula
| business number | 02ra |
|---|---|
| molecular formula | c8h10s2 |
| molecular weight | 170.30 |
| label |
p-dimethylmercaptobenzene, 1,4-bis(mercaptomethyl)benzene, α,α’-dimercapto-p-xylene |
numbering system
cas number:105-09-9
mdl number:mfcd00004872
einecs number:203-269-4
rtecs number:none
brn number:none
pubchem number:24848812
physical property data
1. properties: light yellow crystal.
2. density (g/ml, 25℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 45-46
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific rotation (º): undetermined
p>
10. autoignition point or ignition temperature (ºc): not determined
11. vapor pressure (mmhg, 20ºc): not determined
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. log value of oil-water (octanol/water) distribution coefficient: undetermined
17. explosion upper limit (%, v /v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: undetermined
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 51.87
2. molar volume (cm3/mol): 150.1
3. isotonic specific volume (90.2k ): 384.6
4. surface tension (dyne/cm): 43.0
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 20.56
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.1
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 2
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 73.3
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
