5-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbimidothioic acid
[CAS# 372086-98-1]

Identification

• Name: 5-Isopropyl-4,4-dimethyl-4,5-dihydro-1H-pyrazole-1-carbimidothioic acid
• Synonyms: 4,4-dimethyl-5-(propan-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide; 4,5-Dihydropyrazole-1-carbothioic acid, 5-isopropyl-4,4-dimethyl-, amide
• Molecular Formula: C₉H₁₇N₃S
• Molecular Weight: 199.32
• CAS Registry Number: 372086-98-1
• SMILES: CC(C)C1C(C=NN1C(=N)S)(C)C
• InChI: 1S/C9H17N3S/c1-6(2)7-9(3,4)5-11-12(7)8(10)13/h5-7H,1-4H3,(H2,10,13)
• InChIKey: ACLXSFDBMAOJCS-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 240.2±23.0°C at 760 mmHg (Cal.)
• Flash point: 99.1±22.6°C (Cal.)
• Refractive index: 1.584 (Cal.)