1-[(4-Bromophenyl)amino]-3-({5-[(1H-indol-3-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-2-propanol
[CAS# 86717-06-8]

Identification

• Name: 1-[(4-Bromophenyl)amino]-3-({5-[(1H-indol-3-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-2-propanol
• Synonyms: 2-Propanol, 1-((4-bromophenyl)amino)-3-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-ylthio)-; BRN 6013542
• Molecular Formula: C₂₀H₂₀BrN₅OS₂
• Molecular Weight: 490.44
• CAS Registry Number: 86717-06-8
• SMILES: Brc1ccc(cc1)NCC(O)CSc2nnc(s2)NCc4c3ccccc3nc4
• InChI: 1S/C20H20BrN5OS2/c21-14-5-7-15(8-6-14)22-11-16(27)12-28-20-26-25-19(29-20)24-10-13-9-23-18-4-2-1-3-17(13)18/h1-9,16,22-23,27H,10-12H2,(H,24,25)
• InChIKey: HLAVCTFBALBVDX-UHFFFAOYSA-N

Properties

• Density: 1.616g/cm³ (Cal.)
• Boiling point: 751.09°C at 760 mmHg (Cal.)
• Flash point: 408.045°C (Cal.)