Basic information
- CAS
22661-77-4- Standard SMILES
Nc1ccc(S(=O)(=O)NC(CS)C(=O)O)cc1- InChIKey
FRJIYWRQXUBCOU-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4S2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.02384922
Names & identifiers
- Preferred name
- 2-[(4-Aminophenyl)sulfonylamino]-3-sulfanyl-propanoic acid
- IUPAC
- 2-[(4-aminophenyl)sulfonylamino]-3-sulfanylpropanoic acid
Names & synonyms
Cysteine, N-sulfanilyl-2-[(4-aminophenyl)sulfonylamino]-3-sulfanyl-propanoic acidDTXSID901313801N-(p-Aminophenylsulfonyl)-L-cysteineN-(4-Aminobenzene-1-sulfonyl)cysteine22661-77-4
Database identifiers
- CAS
22661-77-4- PubChem CID
- 458784
- DTXSID
DTXSID901313801
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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