N-Sulfinyl-4-nitroaniline
Basic information
- CAS
13165-67-8- Standard SMILES
O=S=Nc1ccc([N+](=O)[O-])cc1- InChIKey
VFCGVVBHMYTZSL-UHFFFAOYSA-N- Molecular formula
- C6H4N2O3S
- Average molar mass
- 184.17 g/mol
- Monoisotopic mass
- 183.99426317
Names & identifiers
- Preferred name
- N-Sulfinyl-4-nitroaniline
- IUPAC
- 1-nitro-4-(sulfinylamino)benzene
- English name
- Aniline, p-nitro-N-sulfinyl-
- Molecular formula
- C6H4N2O3S
- Molecular weight
- 184.17
Names & synonyms
13165-67-8Aniline, p-nitro-N-sulfinyl-4-nitro-N-sulfinylanilineN-Sulfinyl-4-nitroaniline1-nitro-4-(sulfinylamino)benzenep-Nitro-N-sulfinylaniline4-NITRO-N-THIONYLANILINENSC26908SCHEMBL1260499Benzenamine,4-nitro-n-sulfinyl-DTXSID40927308Benzenamine, 4-nitro-N-sulfinyl-
Show more names
N-(4-nitrophenyl)-N-sulfinylamineNSC-26908AKOS006272325DS-0098891-Nitro-4-[(oxo-lambda~4~-sulfanylidene)amino]benzeneInChI=1/C6H4N2O3S/c9-8(10)6-3-1-5(2-4-6)7-12-11/h1-4
Database identifiers
- CAS
13165-67-8- PubChem CID
- 231192
- DTXSID
DTXSID40927308- Nikkaji
- J1.053.138A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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Compound notes
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