5-Amino-4-cyano-N-isopropyl-3-methyl-1H-pyrazole-1-carbothioamide
[CAS# 828245-70-1]

Identification

• Name: 5-Amino-4-cyano-N-isopropyl-3-methyl-1H-pyrazole-1-carbothioamide
• Synonyms: 1H-Pyrazole-1-carbothioamide, 5-amino-4-cyano-3-methyl-N-(1-methylethyl)-; 1H-PYRAZOLE-1-CARBOTHIOAMIDE,5-AMINO-4-CYANO-3-METHYL-N-(1-METHYLETHYL)-; 5-Amino-4-cyan-N-isopropyl-3-methyl-1H-pyrazol-1-carbothioamid
• Molecular Formula: C₉H₁₃N₅S
• Molecular Weight: 223.30
• CAS Registry Number: 828245-70-1
• SMILES: Cc1c(c(n(n1)C(=S)NC(C)C)N)C#N
• InChI: 1S/C9H13N5S/c1-5(2)12-9(15)14-8(11)7(4-10)6(3)13-14/h5H,11H2,1-3H3,(H,12,15)
• InChIKey: ZELVLIDGMJWCHH-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 408.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 200.6±31.5°C (Cal.)
• Refractive index: 1.657 (Cal.)