Ethyl 3-Methyl-1-(2-Pyridinyl)-5-Sulfanyl-1H-Pyrazole-4-Carboxylate
[CAS# 104909-31-1]

Identification

• Name: Ethyl 3-Methyl-1-(2-Pyridinyl)-5-Sulfanyl-1H-Pyrazole-4-Carboxylate
• Synonyms: 1H-Pyrazole-4-carboxylic acid, 5-mercapto-3-methyl-1-(2-pyridinyl)-, ethyl ester
• Molecular Formula: C₁₂H₁₃N₃O₂S
• Molecular Weight: 263.32
• CAS Registry Number: 104909-31-1
• SMILES: CCOC(=O)c2c(C)nn(c1ncccc1)c2S
• InChI: 1S/C12H13N3O2S/c1-3-17-12(16)10-8(2)14-15(11(10)18)9-6-4-5-7-13-9/h4-7,18H,3H2,1-2H3
• InChIKey: OUMOJIHKESVKHX-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 422.355°C at 760 mmHg (Cal.)
• Flash point: 209.233°C (Cal.)
• Refractive index: 1.64 (Cal.)