2-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-pyrrolidinyl)ethanone
[CAS# 603070-54-8]

Identification

• Name: 2-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-pyrrolidinyl)ethanone
• Synonyms: 2-((4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone; ASN 05643396; ZINC01355755
• Molecular Formula: C₁₀H₁₆N₄OS
• Molecular Weight: 240.33
• CAS Registry Number: 603070-54-8
• SMILES: O=C(N1CCCC1)CSc2nnc(n2C)C
• InChI: 1S/C10H16N4OS/c1-8-11-12-10(13(8)2)16-7-9(15)14-5-3-4-6-14/h3-7H2,1-2H3
• InChIKey: QCPGXIZBZOZBJQ-UHFFFAOYSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 466.584°C at 760 mmHg (Cal.)
• Flash point: 235.982°C (Cal.)
• Refractive index: 1.663 (Cal.)