S-(2-Chloroacetyl)glutathione

Base Information

• Chemical Name: S-(2-Chloroacetyl)glutathione
• CAS No.: 113668-38-5
• Molecular Formula: C12H18 Cl N3 O7 S
• Molecular Weight: 383.81
• DSSTox Substance ID: DTXSID60921146
• Nikkaji Number: J755.658F
• Wikidata: Q27116338
• Mol file: 113668-38-5.mol

Synonyms:2-chloroacetylglutathione;ClCH2COSG;S-(2-chloroacetyl)glutathione

Chemical Property of S-(2-Chloroacetyl)glutathione

Chemical Property:

• Vapor Pressure: 2.69E-27mmHg at 25°C
• Boiling Point: 788.9°Cat760mmHg
• Flash Point: 430.9°C
• Density: 1.507g/cm³
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 383.0553988
• Heavy Atom Count: 24
• Complexity: 503

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CC(=O)NC(CSC(=O)CCl)C(=O)NCC(=O)O)C(C(=O)O)N
• Isomeric SMILES: C(CC(=O)N[C@@H](CSC(=O)CCl)C(=O)NCC(=O)O)[C@@H](C(=O)O)N