Basic information
- CAS
13155-45-8- Standard SMILES
O=C(O)C(CSCc1ccccc1)NSc1ccccc1[N+](=O)[O-]- InChIKey
SRCCJCWCKMDQMO-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4S2
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.05514934
Names & identifiers
- Preferred name
- s-Benzyl-n-[(2-nitrophenyl)sulfanyl]cysteine
- IUPAC
- 3-benzylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]propanoic acid
Names & synonyms
13155-45-8s-benzyl-n-[(2-nitrophenyl)sulfanyl]cysteineNSC154958DTXSID40302898NSC-154958
Database identifiers
- CAS
13155-45-8- PubChem CID
- 290754
- DTXSID
DTXSID40302898
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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