Basic information
- CAS
28361-96-8- Standard SMILES
NC(CSCCCl)C(=O)O- InChIKey
STIGFNKEUDOLLO-UHFFFAOYSA-N- Molecular formula
- C5H10ClNO2S
- Average molar mass
- 183.66 g/mol
- Monoisotopic mass
- 183.0120774
Overview
induces nephrotoxicity; RN given refers to (L)-isomer
Names & identifiers
- Preferred name
- S-(2-Chloroethyl)cysteine
- IUPAC
- 2-amino-3-(2-chloroethylsulfanyl)propanoic acid
Names & synonyms
S-(2-Chloroethyl)cysteineDTXSID10914109RefChem:180520DTXCID9087403028361-96-82-amino-3-(2-chloroethylsulfanyl)propanoic acidS-(2-chloroethyl)-DL-cysteineS-(2-Chloroethyl)-L-cysteineS-(2-Chloroethyl)-cysteineCCRIS 17453-((2-Chloroethyl)thio)alanineBRN 2433353
Show more names
56674-34-1ALANINE, 3-((2-CHLOROETHYL)THIO)-SCHEMBL29048125NSC241258NSC-241258
Database identifiers
- CAS
28361-96-8、56674-34-1、97142-17-1- PubChem CID
- 34229
- DTXSID
DTXSID10914109- Nikkaji
- J3.791.218B
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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