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