N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine

Base Information

• Chemical Name: N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine
• CAS No.: 69278-53-1
• Molecular Formula: C13H17 N O4 S
• Molecular Weight: 283.37
• DSSTox Substance ID: DTXSID60988996
• Nikkaji Number: J413.123A
• Mol file: 69278-53-1.mol

Synonyms:69278-53-1;N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine;N-Acetyl-S-(1-phenyl-2-hydroxyethyl)cysteine;(2R)-2-acetamido-3-(2-hydroxy-1-phenylethyl)sulfanylpropanoic acid;L-Cysteine,N-acetyl-S-(2-hydroxy-1-phenylethyl)-;L-Cysteine, N-acetyl-S-(2-hydroxy-1-phenylethyl)-;N-ACETYL-S-(1-PHENYL-2-HYDROXYETHYL)-L-CYSTEINE;DTXSID60988996;LS-58996;(1-Phenyl-2-hydroxyethyl)mercapturic acid;N-(1-Hydroxyethylidene)-S-(2-hydroxy-1-phenylethyl)cysteine;N-Acetyl-S-(1-phenyl-2-hydroxyethyl)-L-cysteine + N-acetyl-S-(2-phenyl-2-hydroxyethyl)-L-cysteine;N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine + N-Acetyl-S-(2-hydroxy-2-phenylethyl)-L-cysteine (Mixture)

Chemical Property of N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine

Chemical Property:

• Melting Point: NA
• PSA: 115.42000
• LogP: 1.88280
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 283.08782920
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

N-Acetyl-S-(2-hydroxy-1-phenylethyl)-L-cysteine+N-Acetyl-S-(2-hydroxy-2-phenylethyl)-L-cysteine(Mixture) ^*data from reagent suppliers

Safty Information:

• Safety Statements: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.:;"> x and SOx." target="_blank">Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CSC(CO)C1=CC=CC=C1)C(=O)O
• Isomeric SMILES: CC(=O)N[C@@H](CSC(CO)C1=CC=CC=C1)C(=O)O
• Uses: A mixture of 2 metabolites of Styrene