4,4-diaminodiphenyl 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: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

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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