4,4-diaminodiphenyl sulfide
Structural formula
| Business number | 03SF |
|---|---|
| Molecular formula | C12H12N2S |
| Molecular weight | 216.30 |
| label |
4,4′-Thiodianiline, 4,4′-Diaminodiphenyl sulfide, aromatic compounds |
Numbering system
CAS number:139-65-1
MDL number:MFCD00025342
EINECS number:205-370-9
RTECS number:BY9625000
BRN number:1875513
PubChem number:24867296
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
Molecular property data: 1、 Molar refractive index：66.70 2, Molar volume（m3/mol):171.1 3, Isotonic specific volume（90.2K）：485.7 4, Surface tension（3.0 dyne/cm):64.8 5, Polarizability（0.5 10-24 cm3):26.44
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 77.3
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 162
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
Sealed in Store in a cool and dark place.
Synthesis method
None
Purpose
Used as a solvent, also in dyes and rubber preparation
ast-font-family: Arial”>):26.44
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 77.3
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 162
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
Sealed in Store in a cool and dark place.
Synthesis method
None
Purpose
Used as a solvent, also in dyes and rubber preparation
