Basic information
- CAS
71800-42-5- Standard SMILES
[N-]=[N+]=Nc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1- InChIKey
PLCQIDHJDMUWIU-UHFFFAOYSA-N- Molecular formula
- C12H8N4O2S
- Average molar mass
- 272.28 g/mol
- Monoisotopic mass
- 272.03679668
Overview
structure
Names & identifiers
- Preferred name
- S-(4-azido-2-nitrophenyl)thiophenol
- IUPAC
- 4-azido-2-nitro-1-phenylsulfanylbenzene
Names & synonyms
S-(4-azido-2-nitrophenyl)thiophenol71800-42-5DTXSID10222059Benzene, 4-azido-2-nitro-1-(phenylthio-35S)-RefChem:180550DTXCID601445504-azido-2-nitro-1-phenylsulfanylbenzene4-Azido-2-nitro-1-(phenylthio-35S)benzeneSCHEMBL135885104-azido-2-nitro-1-(phenylsulfanyl)benzene
Database identifiers
- CAS
71800-42-5- PubChem CID
- 178153
- DTXSID
DTXSID10222059
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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