2,2′-Dithiosalicylic acid

Structural formula

Business number	03BC
Molecular formula	C14H10O4S2
Molecular weight	306.36
label	2-Carboxyphenyl disulfide, Bis(2-carboxyphenyl) disulfide, dithiosalicylic acid, S2(C6H4CO2H)2, aromatic compounds

• 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:119-80-2

MDL number:MFCD00002465

EINECS number:204-352-8

RTECS number:DG9660000

BRN number:2221810

PubChem number:24864272

Physical property data

1. Characteristics: Brown or yellow powder

2. Density (g/mL,25℃): Undetermined

3. Relative vapor density (g/mL,Air=1): Undetermined

4. Melting point (ºC): 287- 290

5. Boiling point (ºC,normal pressure): Undetermined

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined

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. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Undetermined

Molar volume (m³/mol): 199.3

3、 Isotonic specific volume (90.2K) ：603.1

4, Surface Tension (dyne/cm):83.8

5、 Polarizability (10^-24cm³):31.73

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 125

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 327

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

Avoid contact with strong oxidizing agents.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with corresponding varieties and quantities of consumer goods

Anti-protection equipment.

Synthesis method

None

Purpose

None

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Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 125

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 327

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

Avoid contact with strong oxidizing agents.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with corresponding varieties and quantities of consumer goods

Anti-protection equipment.

Synthesis method

None

Purpose

None