chempirical

(Ethenylthio)benzene

C8H8SCAS 1822-73-7136.21 g/mol

Open in Covalent MOL file
S
AlkeneSulfide

Properties

Molecular formula
C8H8S
Molar mass
136.21 g/mol
Exact mass
136.0347 Da
Density
1.0386 g/mL (at 20 °C)
Boiling point
200–201 °C
logP
2.92Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
1822-73-7
SMILES
C=CSc1ccccc1
InChIKey
GMPDOIGGGXSAPL-UHFFFAOYSA-N
InChI
InChI=1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2

Weigh it out

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

Names and synonyms

10 names
  • Benzene, (ethenylthio)-
  • Sulfide, phenyl vinyl
  • Phenyl vinyl sulfide
  • Vinyl phenyl sulfide
  • Phenylthioethylene
  • Vinylthiobenzene
  • Phenyl vinyl thioether
  • Phenylthioethene
  • NSC 39625
  • Phenyl(vinyl)sulfane

Reactions

Work with (Ethenylthio)benzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2-Propen-1-ylthio)benzene5296-64-044 % similar Diphenyl disulfide882-33-743 % similar [(Chloromethyl)thio]benzene7205-91-638 % similar Styrene100-42-538 % similar 1,1′-[Methylenebis(thio)]bis[benzene]3561-67-938 % similar 1,2-Bis(phenylthio)ethane622-20-838 % similar Polystyrene9003-53-638 % similar Benzenesulfenyl chloride931-59-938 % similar

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

Elsewhere

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