Basic information
- CAS
54252-38-9- Standard SMILES
CNc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1[N+](=O)[O-]- InChIKey
MFKWKOAKNRQJNB-UHFFFAOYSA-N- Molecular formula
- C18H15N3O3S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.08341252
Names & identifiers
- Preferred name
- [5-Anilino-3-(methylamino)-4-nitrothiophen-2-yl](phenyl)methanone
- IUPAC
- [5-anilino-3-(methylamino)-4-nitrothiophen-2-yl]-phenylmethanone
Names & synonyms
54252-38-9DTXSID50495225[5-Anilino-3-(methylamino)-4-nitrothiophen-2-yl](phenyl)methanone
Database identifiers
- CAS
54252-38-9- PubChem CID
- 12377784
- DTXSID
DTXSID50495225
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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