3-Methyl-5-Oxo-2-Pyrazoline-4-Carbothioic Acid
[CAS# 860409-20-7]

Identification

• Name: 3-Methyl-5-Oxo-2-Pyrazoline-4-Carbothioic Acid
• Synonyms: 1H-Pyrazole-4-carbothioic acid, 4,5-dihydro-3-methyl-5-oxo-; 1H-PYRAZOLE-4-CARBOTHIOICACID, 4,5-DIHYDRO-3-METHYL-5-OXO-; 3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-carbothio-O-säure
• Molecular Formula: C₅H₆N₂O₂S
• Molecular Weight: 158.18
• CAS Registry Number: 860409-20-7
• SMILES: CC1=NNC(=O)C1C(=S)O
• InChI: 1S/C5H6N2O2S/c1-2-3(5(9)10)4(8)7-6-2/h3H,1H3,(H,7,8)(H,9,10)
• InChIKey: CEZOQGKUUHPDCC-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Refractive index: 1.72 (Cal.)