n-[(2,4-Dinitrophenyl)sulfanyl]aniline
Basic information
- CAS
18998-33-9- Standard SMILES
O=[N+]([O-])c1ccc(SNc2ccccc2)c([N+](=O)[O-])c1- InChIKey
LXXAVHSAUOQQLU-UHFFFAOYSA-N- Molecular formula
- C12H9N3O4S
- Average molar mass
- 291.28 g/mol
- Monoisotopic mass
- 291.03137695
Names & identifiers
- Preferred name
- n-[(2,4-Dinitrophenyl)sulfanyl]aniline
- IUPAC
- N-(2,4-dinitrophenyl)sulfanylaniline
Names & synonyms
MLS00270653518998-33-9n-[(2,4-dinitrophenyl)sulfanyl]anilineNSC113529CHEMBL1736326DTXSID30940526NSC-113529SMR001573939DS-000598BENZENESULFENAMIDE,2,4-DINITRO-N-PHENYL-
Database identifiers
- CAS
18998-33-9- PubChem CID
- 270779
- DTXSID
DTXSID30940526- ChEMBL
CHEMBL1736326- Nikkaji
- J2.204.729I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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