Basic information
- CAS
7245-62-7- Standard SMILES
O=C(O)CNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
CFKYMKKGFRVZCO-UHFFFAOYSA-N- Molecular formula
- C10H9N3O5S
- Average molar mass
- 283.26 g/mol
- Monoisotopic mass
- 283.02629157
Names & identifiers
- Preferred name
- N-[(4-Nitrobenzoyl)carbamothioyl]glycine
- IUPAC
- 2-[(4-nitrobenzoyl)carbamothioylamino]acetic acid
Names & synonyms
DTXSID0012470817245-62-7N-[(4-Nitrobenzoyl)carbamothioyl]glycineN-[[(4-Nitrobenzoyl)amino]thioxomethyl]glycine
Database identifiers
- CAS
7245-62-7- PubChem CID
- 15366366
- DTXSID
DTXSID001247081- Nikkaji
- J994.336F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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