(2S)-2-Amino-3-(3-Methyl-5-Sulfanylimidazol-4-Yl)Propanoic Acid
[CAS# 108418-13-9]

Identification

• Name: (2S)-2-Amino-3-(3-Methyl-5-Sulfanylimidazol-4-Yl)Propanoic Acid
• Synonyms: (2S)-2-Amino-3-(3-Methyl-5-Sulfanyl-Imidazol-4-Yl)Propanoic Acid; (2S)-2-Amino-3-(5-Mercapto-3-Methyl-4-Imidazolyl)Propanoic Acid; (2S)-2-Amino-3-(5-Mercapto-3-Methyl-Imidazol-4-Yl)Propionic Acid
• Molecular Formula: C₇H₁₁N₃O₂S
• Molecular Weight: 201.24
• CAS Registry Number: 108418-13-9
• SMILES: [C@H](C(=O)O)(N)CC1=C(N=C[N]1C)S
• InChI: 1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)/t4-/m0/s1
• InChIKey: XWKKYVJREGXHFO-BYPYZUCNSA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 483.237°C at 760 mmHg (Cal.)
• Flash point: 246.053°C (Cal.)