4-nitro-N-(phenylsulfanyl)aniline
Basic information
- CAS
64168-52-1- Standard SMILES
O=[N+]([O-])c1ccc(NSc2ccccc2)cc1- InChIKey
ZWORRJVNOUBPPJ-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2S
- Average molar mass
- 246.29 g/mol
- Monoisotopic mass
- 246.04629874
Names & identifiers
- Preferred name
- 4-nitro-N-(phenylsulfanyl)aniline
- IUPAC
- 4-nitro-N-phenylsulfanylaniline
Names & synonyms
NSC65505864168-52-14-nitro-N-(phenylsulfanyl)anilineCHEMBL19723754-nitro-N-phenylsulfanyl-anilineDTXSID30327419NSC-655058NCI60_019038Hydroxy(4-((phenylthio)amino)phenyl)azane oxide
Database identifiers
- CAS
64168-52-1- PubChem CID
- 375386
- DTXSID
DTXSID30327419- ChEMBL
CHEMBL1972375
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…