chempirical

Benzothiophene 1,1-dioxide

C8H6O2SCAS 825-44-5166.19 g/mol

Open in Covalent MOL file
OSO
AlkeneSulfone

Properties

Molecular formula
C8H6O2S
Molar mass
166.19 g/mol
Exact mass
166.0089 Da
Melting point
142–143 °C
logP
1.44Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
825-44-5
SMILES
O=S1(=O)C=Cc2ccccc21
InChIKey
FRJNKYGTHPUSJR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Benzo[b]thiophene, 1,1-dioxide
  • Thianaphthene 1,1-dioxide
  • Thionaphthene 1,1-dioxide
  • Benzothiophene sulfone
  • Benzo[b]thiophene S,S-dioxide
  • NSC 82162
  • Benzothiophene S,S-dioxide
  • 1-Benzothiophene 1,1-dioxide
  • 1H-1λ6-Benzo[b]thiophene-1,1-dione

Work with Benzothiophene 1,1-dioxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Stattic19983-44-946 % similar C.I. Fluorescent brightener 35138775-22-341 % similar Tinopal cbs27344-41-838 % similar Sodium 2-formylbenzenesulfonate1008-72-636 % similar Dibenzothiophene sulfone1016-05-334 % similar Dibenzazepine256-96-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook