Ethyl 1-(4-Pyrimidinyl)-5-Sulfanyl-1H-Pyrazole-4-Carboxylate
[CAS# 105877-69-8]

Identification

• Name: Ethyl 1-(4-Pyrimidinyl)-5-Sulfanyl-1H-Pyrazole-4-Carboxylate
• Synonyms: 1H-Pyrazole-4-carboxylic acid, 5-mercapto-1-(4-pyrimidinyl)-, ethyl ester
• Molecular Formula: C₁₀H₁₀N₄O₂S
• Molecular Weight: 250.28
• CAS Registry Number: 105877-69-8
• SMILES: CCOC(=O)c2cnn(c1ncncc1)c2S
• InChI: 1S/C10H10N4O2S/c1-2-16-10(15)7-5-13-14(9(7)17)8-3-4-11-6-12-8/h3-6,17H,2H2,1H3
• InChIKey: BWNUCTMWZKLMFB-UHFFFAOYSA-N

Properties

• Density: 1.446g/cm³ (Cal.)
• Boiling point: 430.474°C at 760 mmHg (Cal.)
• Flash point: 214.143°C (Cal.)
• Refractive index: 1.688 (Cal.)