5-Methoxy-2-Phenyl-3-[(1H-Tetrazol-5-Yl)Methylthio]-1H-Indole
[CAS# 66403-52-9]

Identification

• Name: 5-Methoxy-2-Phenyl-3-[(1H-Tetrazol-5-Yl)Methylthio]-1H-Indole
• Synonyms: 5-Methoxy-2-Phenyl-3-(2H-Tetrazol-5-Ylmethylthio)-1H-Indole; 5-Methoxy-2-Phenyl-3-(2H-1,2,3,4-Tetrazol-5-Ylmethylsulfanyl)-1H-Indole; 1H-Indole, 5-Methoxy-2-Phenyl-3-((1H-Tetrazol-5-Ylmethyl)Thio)-
• Molecular Formula: C₁₇H₁₅N₅OS
• Molecular Weight: 337.40
• CAS Registry Number: 66403-52-9
• SMILES: C1=C(OC)C=CC2=C1C(=C([NH]2)C3=CC=CC=C3)SCC4=N[NH]N=N4
• InChI: 1S/C17H15N5OS/c1-23-12-7-8-14-13(9-12)17(24-10-15-19-21-22-20-15)16(18-14)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20,21,22)
• InChIKey: WEQMYCFJMCFAAT-UHFFFAOYSA-N

Properties

• Density: 1.445g/cm³ (Cal.)
• Boiling point: 621.992°C at 760 mmHg (Cal.)
• Flash point: 329.969°C (Cal.)