1,2,5-Thiadiazole-3-carboxylicacid

• CAS: 13368-86-0
• Catalog Number: ACM13368860
• Category: Other Products
• Molecular Weight: 130.13
• Molecular Formula: C₃H₂N₂O₂S
• Synonyms: 1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID
• IUPAC Name: 1,2,5-thiadiazole-3-carboxylic acid
• Canonical SMILES: C1=NSN=C1C(=O)O
• InChI Key: GFTBMBHVZZFGCK-UHFFFAOYSA-N
• Boiling Point: 292.8ºC at 760 mmHg
• Melting Point: 89ºC
• Flash Point: 130.9ºC
• Density: 1.67g/cm³
• Exact Mass: 129.98400
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Safety Description: S26-S37/39

Synthetic Use

Upstream Synthesis Route 1

• 515-94-6

• 13368-86-0

Reference: [1]Weinstock,L.M. et al.
[Journal of Organic Chemistry, 1967, vol. 32, p. 2823 - 2829]

Downstream Synthesis Route 1

• 13368-86-0

• 30853-22-6

Reference: [1]Mulvey,D.M.; Weinstock,L.M.
[Journal of Heterocyclic Chemistry, 1967, vol. 4, p. 445 - 446]
[2]Current Patent Assignee: ELI LILLY & CO - US2010/69404, 2010, A1
Location in patent: Page/Page column 15

Downstream Synthesis Route 2

• 13368-86-0

• 16311-47-0

Reference: [1]Mulvey,D.M.; Weinstock,L.M.
[Journal of Heterocyclic Chemistry, 1967, vol. 4, p. 445 - 446]

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