1-({5-[(1H-Indol-3-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-3-[(2-methylphenyl)amino]-2-propanol
[CAS# 86717-07-9]

Identification

• Name: 1-({5-[(1H-Indol-3-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-3-[(2-methylphenyl)amino]-2-propanol
• Synonyms: BRN 6012603
• Molecular Formula: C₂₁H₂₃N₅OS₂
• Molecular Weight: 425.57
• CAS Registry Number: 86717-07-9
• SMILES: OC(CSc1nnc(s1)NCc3c2ccccc2nc3)CNc4ccccc4C
• InChI: 1S/C21H23N5OS2/c1-14-6-2-4-8-18(14)23-12-16(27)13-28-21-26-25-20(29-21)24-11-15-10-22-19-9-5-3-7-17(15)19/h2-10,16,22-23,27H,11-13H2,1H3,(H,24,25)
• InChIKey: LQXKAFANMJCRPD-UHFFFAOYSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 725.709°C at 760 mmHg (Cal.)
• Flash point: 392.695°C (Cal.)