4-{[(5-Thioxo-4,5-Dihydro-1,3,4-Thiadiazol-2-Yl)Sulfanyl]Methyl}Benzoic Acid
[CAS# 107859-96-1]

Identification

• Name: 4-{[(5-Thioxo-4,5-Dihydro-1,3,4-Thiadiazol-2-Yl)Sulfanyl]Methyl}Benzoic Acid
• Synonyms: 4-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIOMETHYL)-BENZOICACID; 4-[(5-sulfanyl-1,3,4-thiadiazol-2-ylthio)methyl]benzoic acid
• Molecular Formula: C₁₀H₈N₂O₂S₃
• Molecular Weight: 284.38
• CAS Registry Number: 107859-96-1
• SMILES: OC(=O)c1ccc(cc1)CSc2nnc(S)s2
• InChI: 1S/C10H8N2O2S3/c13-8(14)7-3-1-6(2-4-7)5-16-10-12-11-9(15)17-10/h1-4H,5H2,(H,11,15)(H,13,14)
• InChIKey: JAQNJXBQTGXTOQ-UHFFFAOYSA-N

Properties

• Density: 1.57g/cm³ (Cal.)
• Boiling point: 511.951°C at 760 mmHg (Cal.)
• Flash point: 263.419°C (Cal.)
• Refractive index: 1.725 (Cal.)