2-nitro-6,7-dihydrobenzo[b]thiophen-4(5H)-one

HCID 762878

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

Related reactions

3 records

Compound notes

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