chempirical

Ethynylsulfanylbenzene

C8H6SCAS 6228-98-4134.20 g/mol

Open in Covalent MOL file
S
AlkyneSulfide

Properties

Molecular formula
C8H6S
Molar mass
134.20 g/mol
Exact mass
134.0190 Da
logP
2.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
6228-98-4
SMILES
C#CSC1=CC=CC=C1
InChIKey
KTDJFTDAVHPTDO-UHFFFAOYSA-N
InChI
InChI=1S/C8H6S/c1-2-9-8-6-4-3-5-7-8/h1,3-7H

Weigh it out

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

Names and synonyms

4 names
  • (Ethynylsulfanyl)benzene
  • Ethynyl(phenyl)sulfane
  • (Ethynylthio)benzene
  • Ethynylsulfanyl-benzene

Work with Ethynylsulfanylbenzene

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 sulfide139-66-243 % similar Diphenyl disulfide882-33-743 % similar Ethyl phenyl sulfide622-38-838 % similar Thioanisole100-68-538 % similar 1,1′-[Methylenebis(thio)]bis[benzene]3561-67-938 % similar Phenylacetylene536-74-338 % similar 1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]622-20-838 % similar Benzenesulfenyl chloride931-59-938 % similar

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

Same formula

Benzothiophene95-15-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook