s-Methyl-L-cysteine sulfoxide

• CAS: 6853-87-8
• Catalog Number: ACM6853878
• Category: Other Products
• Molecular Weight: 151.18
• Molecular Formula: C4H9NO3S
• Synonyms: S-Methylaptein sulfoxide
• IUPAC Name: (2R)-2-Amino-3-methylsulfinylpropanoic acid
• Canonical SMILES: CS(=O)CC(C(=O)O)N
• InChI: InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9?/m0/s1
• InChI Key: ZZLHPCSGGOGHFW-BUKSALPDSA-N
• Boiling Point: 428.2±40.0 °C
• Melting Point: 169-170 °C
• Flash Point: 212.8 °C
• Density: 1.471±0.06 g/cm³
• Appearance: Solid
• Storage: Keep in dark place, inert atmosphere, room temperature
• Complexity: 136
• Exact Mass: 151.03031432
• Isomeric SMILES: CS(=O)C[C@@H](C(=O)O)N
• Monoisotopic Mass: 151.03031432
• pKa: 1.85±0.10(Predicted)
• Refractive Index: 1.586
• Topological Polar Surface Area: 99.6 Ų