3-Methyl-2-[[(Z)-(5-Oxo-1,3-Oxazol-4-Ylidene)Methyl]Amino]-3-Sulfanylbutanoic Acid
[CAS# 10250-99-4]

Identification

• Name: 3-Methyl-2-[[(Z)-(5-Oxo-1,3-Oxazol-4-Ylidene)Methyl]Amino]-3-Sulfanylbutanoic Acid
• Synonyms: 3-Methyl-2-[[(Z)-(5-Oxooxazol-4-Ylidene)Methyl]Amino]-3-Sulfanyl-Butanoic Acid; 3-Mercapto-3-Methyl-2-[[(Z)-(5-Oxo-4-Oxazolylidene)Methyl]Amino]Butanoic Acid; 2-[[(Z)-(5-Ketooxazol-4-Ylidene)Methyl]Amino]-3-Mercapto-3-Methyl-Butyric Acid
• Molecular Formula: C₉H₁₂N₂O₄S
• Molecular Weight: 244.26
• CAS Registry Number: 10250-99-4
• SMILES: CC(S)(C(N/C=C/1N=COC1=O)C(=O)O)C
• InChI: 1S/C9H12N2O4S/c1-9(2,16)6(7(12)13)10-3-5-8(14)15-4-11-5/h3-4,6,10,16H,1-2H3,(H,12,13)/b5-3-
• InChIKey: LJJFZCGLRICWLJ-HYXAFXHYSA-N

Properties

• Density: 1.445g/cm³ (Cal.)
• Boiling point: 370.843°C at 760 mmHg (Cal.)
• Flash point: 178.08°C (Cal.)