s-Carboxymethyl-L-cysteine

• CAS: 638-23-3
• Catalog Number: ACM638233
• Category: Other Products
• Molecular Weight: 179.19
• Molecular Formula: C5H9NO4S
• Synonyms: Carbocisteine
• IUPAC Name: (2R)-2-Amino-3-(carboxymethylsulfanyl)propanoic acid
• Canonical SMILES: C(C(C(=O)O)N)SCC(=O)O
• InChI: InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
• InChI Key: GBFLZEXEOZUWRN-VKHMYHEASA-N
• Boiling Point: 417.3±45.0 °C
• Melting Point: 208-213 °C
• Flash Point: 191.8 °C
• Density: 1.315 g/cm³
• Solubility: Soluble in cold water
• Appearance: White to slightly off-white amorphous powder
• Storage: 2-8 °C
• Complexity: 161
• Exact Mass: 179.02522894
• Isomeric SMILES: C([C@@H](C(=O)O)N)SCC(=O)O
• Monoisotopic Mass: 179.02522894
• pKa: 2.06±0.10(Predicted)
• Refractive Index: 1.5216
• Topological Polar Surface Area: 126 Ų