Basic information
- Standard SMILES
O=C1CCCc2sc([N+](=O)[O-])cc21- InChIKey
YDAOTLYGTWGWNT-UHFFFAOYSA-N- Molecular formula
- C8H7NO3S
- Average molar mass
- 197.21 g/mol
Names & identifiers
- Preferred name
- 2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one
- IUPAC
- 2-nitro-6,7-dihydro-5H-1-benzothiophen-4-one
Names & synonyms
2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-oneCambridge id 525612273264-28-5SCHEMBL3445811YDAOTLYGTWGWNT-UHFFFAOYSA-NMFCD00582674AKOS000280611NCGC00240964-01SY3789016,7-dihydro-2-nitrobenzo[b]thiophen-4(5h)-one2-nitro-6, 7-dihydrobenzo[b]thiophen-4(5H)-one2-nitro-6,7-dihydro-1-benzothiophen-4(5H)-one
Database identifiers
- PubChem CID
- 762878
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
Related reactions
3 records
Compound notes
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