Methyl 4-Sulfanyl-1H-Imidazole-5-Carboxylate
[CAS# 138428-69-0]

Identification

• Name: Methyl 4-Sulfanyl-1H-Imidazole-5-Carboxylate
• Synonyms: methyl 5-mercapto-1H-imidazole-4-carboxylate
• Molecular Formula: C₅H₆N₂O₂S
• Molecular Weight: 158.18
• CAS Registry Number: 138428-69-0
• SMILES: COC(=O)c1c(nc[nH]1)S
• InChI: 1S/C5H6N2O2S/c1-9-5(8)3-4(10)7-2-6-3/h2,10H,1H3,(H,6,7)
• InChIKey: HNXSMQITPAMMFF-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 403.028°C at 760 mmHg (Cal.)
• Flash point: 197.545°C (Cal.)
• Refractive index: 1.611 (Cal.)