1-Anilino-3-({5-[(1H-indol-3-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-2-propanol
[CAS# 86717-04-6]

Identification

• Name: 1-Anilino-3-({5-[(1H-indol-3-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-2-propanol
• Synonyms: 2-Propanol, 1-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-3-(phenylamino)-; BRN 6006853
• Molecular Formula: C₂₀H₂₁N₅OS₂
• Molecular Weight: 411.54
• CAS Registry Number: 86717-04-6
• SMILES: OC(CSc1nnc(s1)NCc3c2ccccc2nc3)CNc4ccccc4
• InChI: 1S/C20H21N5OS2/c26-16(12-21-15-6-2-1-3-7-15)13-27-20-25-24-19(28-20)23-11-14-10-22-18-9-5-4-8-17(14)18/h1-10,16,21-22,26H,11-13H2,(H,23,24)
• InChIKey: ZNSWVRAXWFWTFQ-UHFFFAOYSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Boiling point: 720.988°C at 760 mmHg (Cal.)
• Flash point: 389.84°C (Cal.)