4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl carbamimidothioate
[CAS# 802317-12-0]

Identification

• Name: 4-Acetyl-3,5-dimethyl-1H-pyrrol-2-yl carbamimidothioate
• Synonyms: 4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl carbamimidothioate
• Molecular Formula: C₉H₁₃N₃OS
• Molecular Weight: 211.28
• CAS Registry Number: 802317-12-0
• SMILES: Cc1c(c([nH]c1SC(=N)N)C)C(=O)C
• InChI: 1S/C9H13N3OS/c1-4-7(6(3)13)5(2)12-8(4)14-9(10)11/h12H,1-3H3,(H3,10,11)
• InChIKey: BDTGNHZWHJPVJI-UHFFFAOYSA-N

Properties

• Density: 1.351g/cm³ (Cal.)
• Boiling point: 399.431°C at 760 mmHg (Cal.)
• Flash point: 195.369°C (Cal.)
• Refractive index: 1.642 (Cal.)