chempirical

2-Benzenesulfonylthiophene

C10H8O2S2CAS 22407-40-5224.29 g/mol

Open in Covalent MOL file
SOOS
Sulfone

Properties

Molecular formula
C10H8O2S2
Molar mass
224.29 g/mol
Exact mass
223.9966 Da
logP
2.58Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
22407-40-5
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=CS2
InChIKey
SRWXKQSZSIGHCO-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O2S2/c11-14(12,10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H

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Names and synonyms

1 names
  • 2-(Phenylsulfonyl)thiophene

Work with 2-Benzenesulfonylthiophene

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

Diphenyl sulfone127-63-956 % similar 2-Thiophenesulfonyl chloride16629-19-948 % similar 2-Methylsulfonylthiophene38695-60-248 % similar 2-Thiophenesulfonamide6339-87-348 % similar 4-(Phenylsulfonyl)-2-thiophenesulfonyl chloride160233-28-345 % similar Thiophene-2-sulfonylacetonitrile175137-62-944 % similar 4-Chlorophenyl phenyl sulfone80-00-244 % similar 2-(Phenylsulfonyl)aniline4273-98-741 % similar

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

Same formula

3-Benzenesulfonylthiophene16718-05-1 2,2'-Thenoin27761-02-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook