Thiosalicylic acid

• CAS: 147-93-3
• Catalog Number: ACM147933
• Category: Other Products
• Molecular Weight: 154.19
• Molecular Formula: C7H6O2S
• Description: Thiosalicylic acid is an organosulfur compound containing carboxyl and sulfhydryl functional groups. Its molecular formula is C6H4(SH)(CO2H). it is a yellow solid that is slightly soluble in water, ethanol and diethyl ether, and alkanes, but more soluble in DMSO.
• Synonyms: 2-Mercaptobenzoic acid
• IUPAC Name: 2-sulfanylbenzoic acid
• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)S
• InChI: NBOMNTLFRHMDEZ-UHFFFAOYSA-N
• InChI Key: InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)
• Boiling Point: 247.5°C
• Melting Point: 162-165 °C (lit.)
• Flash Point: 150ºC
• Density: 1.49g/ml
• Appearance: Pale yellow powder
• Active Content: 95%
• EC Number: 205-704-3
• Hazard Codes: Xn
• HS Code: 29309070
• LogP: 1.67350
• MDL Number: MFCD00004836
• Physical State: Solid
• PSA: 76.1
• Stability: Stable at room temperature in closed containers under normal storage and handling conditions.
• Storage Conditions: 0-6ºC
• Vapor Pressure: 0.00979mmHg at 25°C
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 6424-61-9
• 141-52-6

• 78610-70-5
• 147-93-3

Reference: [1] Chemische Berichte, 1911, vol. 44, p. 3107
[2] Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 11, p. 200

Upstream Synthesis Route 2

• 1677-27-6

• 147-93-3

Reference: [1]Journal of the Chemical Society,1922,vol. 121,p. 90

Upstream Synthesis Route 3

• 6424-61-9
• 141-52-6

• 78610-70-5
• 147-93-3

Reference: [1]Chemical and pharmaceutical bulletin,1959,vol. 7,p. 393

Downstream Synthesis Route 1

• 13993-58-3
• 64-17-5
• 141-52-6
• 147-93-3

• 7153-08-4
• 119-80-2

Reference: [1] Journal of the American Pharmaceutical Association (1912-1977), 1951, vol. 40, p. 143,144, 149

Downstream Synthesis Route 2

• 147-93-3

• 615-20-3

Reference: [1] Synthetic Communications, 2004, vol. 34, # 4, p. 735 - 742

Downstream Synthesis Route 3

• 6312-72-7
• 147-93-3

• 99845-50-8

Reference: [1]Journal of the American Pharmaceutical Association (1912),1951,vol. 40,p. 143,144, 149

* For details of the synthesis route, please refer to the original source to ensure accuracy.