5-(2-Chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
[CAS# 5541-92-4]

Identification

• Name: 5-(2-Chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide
• Synonyms: (6E)-6-[4-Phenyl-6-(Phenylmethylthio)-3H-1,3,5-Triazin-2-Ylidene]-1-Cyclohexa-2,4-Dienone; (6E)-6-[4-(Benzylthio)-6-Phenyl-1H-S-Triazin-2-Ylidene]Cyclohexa-2,4-Dien-1-One; Oprea1_730737
• Molecular Formula: C₂₂H₁₇N₃OS
• Molecular Weight: 371.46
• CAS Registry Number: 5541-92-4
• SMILES: C4=C(C1=NC(=NC(/N1)=C2/C(=O)C=CC=C2)SCC3=CC=CC=C3)C=CC=C4
• InChI: 1S/C22H17N3OS/c26-19-14-8-7-13-18(19)21-23-20(17-11-5-2-6-12-17)24-22(25-21)27-15-16-9-3-1-4-10-16/h1-14H,15H2,(H,23,24,25)/b21-18+
• InChIKey: QLJZRMKDQFHAIP-DYTRJAOYSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 545.505°C at 760 mmHg (Cal.)
• Flash point: 283.711°C (Cal.)