3,4,5-Trimethyl-1H-Pyrazole-1-Carbothioamide
[CAS# 117134-80-2]

Identification

• Name: 3,4,5-Trimethyl-1H-Pyrazole-1-Carbothioamide
• Synonyms: 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide; amino(3,4,5-trimethylpyrazolyl)methane-1-thione; MFCD01103389
• Molecular Formula: C₇H₁₁N₃S
• Molecular Weight: 169.25
• CAS Registry Number: 117134-80-2
• SMILES: S=C(n1nc(c(c1C)C)C)N
• InChI: 1S/C7H11N3S/c1-4-5(2)9-10(6(4)3)7(8)11/h1-3H3,(H2,8,11)
• InChIKey: JPDCRXNBPJZAOP-UHFFFAOYSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Melting point: 117-119°C (Expl.)
• Boiling point: 328.064°C at 760 mmHg (Cal.)
• Flash point: 152.208°C (Cal.)
• Refractive index: 1.629 (Cal.)