3-Methyl-3-sulfanyl-D-isovaline
[CAS# 88168-74-5]

Identification

• Name: 3-Methyl-3-sulfanyl-D-isovaline
• Synonyms: (2S)-2-amino-2,3-dimethyl-3-sulfanylbutanoic acid; (S)-2-amino-3-mercapto-2,3-dimethylbutanoic acid
• Molecular Formula: C₆H₁₃NO₂S
• Molecular Weight: 163.24
• CAS Registry Number: 88168-74-5
• SMILES: C[C@](C(=O)O)(C(C)(C)S)N
• InChI: 1S/C6H13NO2S/c1-5(2,10)6(3,7)4(8)9/h10H,7H2,1-3H3,(H,8,9)/t6-/m0/s1
• InChIKey: LWBPPQSUNXQYIJ-LURJTMIESA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 253.681°C at 760 mmHg (Cal.)
• Flash point: 107.223°C (Cal.)