5-Chloro-2-Phenyl-3-[(1H-Tetrazol-5-Yl)Methylthio]-1H-Indole
[CAS# 66354-94-7]

Identification

• Name: 5-Chloro-2-Phenyl-3-[(1H-Tetrazol-5-Yl)Methylthio]-1H-Indole
• Synonyms: 5-Chloro-2-Phenyl-3-(5H-Tetrazol-5-Ylmethylthio)-1H-Indole; 5-Chloro-2-Phenyl-3-(5H-1,2,3,4-Tetrazol-5-Ylmethylsulfanyl)-1H-Indole; 1H-Indole, 5-Chloro-2-Phenyl-3-((1H-Tetrazol-5-Ylmethyl)Thio)-
• Molecular Formula: C₁₆H₁₂ClN₅S
• Molecular Weight: 341.82
• CAS Registry Number: 66354-94-7
• SMILES: C1=C(Cl)C=CC2=C1C(=C([NH]2)C3=CC=CC=C3)SCC4N=NN=N4
• InChI: 1S/C16H12ClN5S/c17-11-6-7-13-12(8-11)16(23-9-14-19-21-22-20-14)15(18-13)10-4-2-1-3-5-10/h1-8,14,18H,9H2
• InChIKey: KPIGZOYPTSEXKY-UHFFFAOYSA-N

Properties

• Density: 1.53g/cm³ (Cal.)
• Boiling point: 548.952°C at 760 mmHg (Cal.)
• Flash point: 285.796°C (Cal.)