chempirical

3-Benzenesulfonylthiophene

C10H8O2S2CAS 16718-05-1224.29 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
16718-05-1
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CSC=C2
InChIKey
LGGLKPFTYFIQSY-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O2S2/c11-14(12,10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H

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Names and synonyms

1 names
  • 3-(Phenylsulfonyl)thiophene

Work with 3-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 sulfone127-63-963 % similar 4-Chlorophenyl phenyl sulfone80-00-248 % similar Methyl phenyl sulfone3112-85-445 % similar 4-(Phenylsulfonyl)-2-thiophenesulfonyl chloride160233-28-345 % similar 1-[4-(Benzenesulfonyl)phenyl]ethan-1-one65085-83-842 % similar 2-(Phenylsulfonyl)aniline4273-98-741 % similar 2,4-Bis(phenylsulfonyl)phenol177325-75-641 % similar 3-Phenylthiophene2404-87-740 % similar

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

Same formula

2-Benzenesulfonylthiophene22407-40-5 2,2'-Thenoin27761-02-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook