1-({5-[(1H-Indol-3-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-3-(1H-pyrrol-2-ylamino)-2-propanol
[CAS# 86717-12-6]

Identification

• Name: 1-({5-[(1H-Indol-3-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-3-(1H-pyrrol-2-ylamino)-2-propanol
• Synonyms: 2-Propanol, 1-((5-((1H-indol-3-ylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)-3-(1H-pyrrol-2-ylamino)-; BRN 6011328
• Molecular Formula: C₁₈H₂₀N₆OS₂
• Molecular Weight: 400.52
• CAS Registry Number: 86717-12-6
• SMILES: OC(CSc1nnc(s1)NCc3c2ccccc2nc3)CNc4cccn4
• InChI: 1S/C18H20N6OS2/c25-13(10-21-16-6-3-7-19-16)11-26-18-24-23-17(27-18)22-9-12-8-20-15-5-2-1-4-14(12)15/h1-8,13,19-21,25H,9-11H2,(H,22,23)
• InChIKey: JQUFSKXTICDJEF-UHFFFAOYSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Boiling point: 768.794°C at 760 mmHg (Cal.)
• Flash point: 418.752°C (Cal.)