Basic information
- CAS
7405-25-6- Standard SMILES
O=[N+]([O-])C1=Cc2ccccc2S(=O)(=O)CC1- InChIKey
NGLSLFNQPLMPLL-UHFFFAOYSA-N- Molecular formula
- C10H9NO4S
- Average molar mass
- 239.25 g/mol
- Monoisotopic mass
- 239.02522894
Names & identifiers
- Preferred name
- 4-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dione
- IUPAC
- 4-nitro-2,3-dihydro-1λ6-benzothiepine 1,1-dioxide
Names & synonyms
7405-25-6NSC403246DTXSID203231674-Nitro-2,3-dihydro-1H-1lambda~6~-benzothiepine-1,1-dioneNSC-4032464-nitro-2,3-dihydro-benzo[b]thiepine 1,1-dioxide
Database identifiers
- CAS
7405-25-6- PubChem CID
- 345550
- DTXSID
DTXSID20323167
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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