S-(2,4-Dinitrophenyl)cysteine

HCID 32102

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Basic information

CAS: 23815-63-6
Standard SMILES: N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIKey: QGTPCMCCGCVZQY-LURJTMIESA-N
Molecular formula: C9H9N3O6S
Average molar mass: 287.25 g/mol
Monoisotopic mass: 287.02120619

Names & identifiers

Preferred name: S-(2,4-Dinitrophenyl)cysteine
IUPAC: (2R)-2-amino-3-(2,4-dinitrophenyl)sulfanylpropanoic acid

Names & synonyms

S-(2,4-Dinitrophenyl)cysteineL-CYSTEINE, S-(2,4-DINITROPHENYL)-23815-63-6Q9EK8B2P5CS-(2,4-dinitrophenyl)-L-cysteineCCRIS 1805NSC 89977BRN 2544571NSC-89977(2R)-2-amino-3-(2,4-dinitrophenyl)sulfanylpropanoic acidUNII-Q9EK8B2P5C4-06-00-01764 (Beilstein Handbook Reference)

Show more names

SCHEMBL8963352S-(2,4-dinitrophenyl)-cysteineDTXSID301030916

Database identifiers

CAS: 23815-63-6
PubChem CID: 32102
DTXSID: DTXSID301030916
UNII: Q9EK8B2P5C
Nikkaji: J3.364.177J、J3.515.365I

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 180 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 368

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