Basic information
- CAS
109258-73-3- Standard SMILES
CCc1ccc(S(=O)(=O)Sc2ccccc2[N+](=O)[O-])cc1- InChIKey
FDZOMLVCFNKLPT-UHFFFAOYSA-N- Molecular formula
- C14H13NO4S2
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.02860024
Names & identifiers
- Preferred name
- S-(2-nitrophenyl) 4-ethylbenzenesulfonothioate
- IUPAC
- 1-(4-ethylphenyl)sulfonylsulfanyl-2-nitrobenzene
Names & synonyms
NSC85656S-(2-nitrophenyl) 4-ethylbenzenesulfonothioateDTXSID401247421NSC-85656109258-73-3S-(2-Nitrophenyl) 4-ethylbenzene-1-sulfonothioate
Database identifiers
- CAS
109258-73-3- PubChem CID
- 257550
- DTXSID
DTXSID401247421
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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