(2E)-3-(1H-Imidazol-4-yl)-2-propenethioic S-acid
[CAS# 857240-23-4]

Identification

• Name: (2E)-3-(1H-Imidazol-4-yl)-2-propenethioic S-acid
• Synonyms: (E)-3-(1H-imidazol-4-yl)prop-2-enethioic S-acid
• Molecular Formula: C₆H₆N₂OS
• Molecular Weight: 154.19
• CAS Registry Number: 857240-23-4
• SMILES: C1=C(N=CN1)/C=C/C(=O)S
• InChI: 1S/C6H6N2OS/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
• InChIKey: YJYULHLSTXZQEH-OWOJBTEDSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 434.4±37.0°C at 760 mmHg (Cal.)
• Flash point: 216.5±26.5°C (Cal.)
• Refractive index: 1.677 (Cal.)