N-Acetyl-S-(2,3,4-Trihydroxybutyl)-L-Cysteine
[CAS# 219965-90-9]

Identification

• Name: N-Acetyl-S-(2,3,4-Trihydroxybutyl)-L-Cysteine
• Synonyms: S-(2,3,4-Trihydroxybutyl)mercapturic Acid
• Molecular Formula: C₉H₁₇NO₆S
• Molecular Weight: 267.30
• CAS Registry Number: 219965-90-9
• SMILES: CC(=O)N[C@@H](CSCC(C(CO)O)O)C(=O)O
• InChI: 1S/C9H17NO6S/c1-5(12)10-6(9(15)16)3-17-4-8(14)7(13)2-11/h6-8,11,13-14H,2-4H2,1H3,(H,10,12)(H,15,16)/t6-,7?,8?/m0/s1
• InChIKey: QGRUOXFPDCTBCA-KKMMWDRVSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 689.927°C at 760 mmHg (Cal.)
• Flash point: 371.055°C (Cal.)
• Refractive index: 1.577 (Cal.)