(4-{3-[(2-Chloroethyl)sulfanyl]propanamido}phenyl)arsonic acid
Basic information
- CAS
64157-88-6- Standard SMILES
O=C(CCSCCCl)Nc1ccc([As](=O)(O)O)cc1- InChIKey
KCJQSKCZGYVJTI-UHFFFAOYSA-N- Molecular formula
- C11H15AsClNO4S
- Average molar mass
- 367.68 g/mol
- Monoisotopic mass
- 366.962626
Names & identifiers
- Preferred name
- (4-{3-[(2-Chloroethyl)sulfanyl]propanamido}phenyl)arsonic acid
- IUPAC
- [4-[3-(2-chloroethylsulfanyl)propanoylamino]phenyl]arsonic acid
Names & synonyms
64157-88-6NSC266201CHEMBL3276913ANTINEOPLASTIC-266201DTXSID50313091(4-{3-[(2-Chloroethyl)sulfanyl]propanamido}phenyl)arsonic acidNSC-266201
Database identifiers
- CAS
64157-88-6- PubChem CID
- 320045
- DTXSID
DTXSID50313091- ChEMBL
CHEMBL3276913
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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