N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine
Product Code
TRC-A173580
CAS Number
Product Format
Neat
Molecular Formula
C7 H9 Cl2 N O3 S
Molecular Weight
258.12
Product Categories
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine
CAS Number
126543-43-9
Molecular Formula
C7 H9 Cl2 N O3 S
Molecular Weight
258.12
Accurate Mass
256.968
SMILES
CC(=O)N[C@@H](CSC=C(Cl)Cl)C(=O)O
InChI
InChI=1S/C7H9Cl2NO3S/c1-4(11)10-5(7(12)13)2-14-3-6(8)9/h3,5H,2H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1
IUPAC
(2R)-2-acetamido-3-(2,2-dichloroethenylsulfanyl)propanoic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Impurity
Product Format
Neat
Purity
>95% (HPLC)
Product Description
Trichloroethylene metabolite
References: Werner, M., et al.: Chem. Res. Toxicol., 9, 41 (1996), Bruning, T., et al.: Toxicol. Sci., 41, 157 (1998), Newman, D., et al.: Drug Metab. Disposition, 35, 43 (2007),