S-Allylthiobenzene

C9H10SCAS 5296-64-0150.24 g/mol

Open in Covalent MOL file
S
AlkeneSulfide

Properties

Molecular formula
C9H10S
Molar mass
150.24 g/mol
Exact mass
150.0503 Da
Density
1.022 g/mL (at 25 °C)
Melting point
−48–46.5 °C
Boiling point
48–49 °C (at 0.43 Torr)
logP
2.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
5296-64-0
SMILES
C=CCSc1ccccc1
InChIKey
QGNRLAFFKKBSIM-UHFFFAOYSA-N
InChI
InChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2

Weigh it out

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Names and synonyms

15 names · show all
  • (2-Propen-1-ylthio)benzene
  • Benzene, (2-propen-1-ylthio)-
  • Sulfide, allyl phenyl
  • Benzene, (2-propenylthio)-
  • Allyl phenyl sulfide
  • Allyl phenyl thioether
  • Phenyl allyl thioether
  • Phenyl allyl sulfide
  • (2-Propenylthio)benzene
  • Allyl(phenyl)sulfane
  • 3-(Phenylthio)-1-propene
  • Phenyl 2-propenyl sulfide
  • Prop-2-enylthiobenzene
  • (Prop-2-en-1-ylsulfanyl)benzene
  • Allylthiobenzene

Work with S-Allylthiobenzene

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

1,1′-[Methylenebis(thio)]bis[benzene]3561-67-950 % similar 1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]622-20-850 % similar (Ethenylthio)benzene1822-73-744 % similar Phenylpropene300-57-244 % similar Ethyl phenyl sulfide622-38-844 % similar Chloromethyl phenyl sulphide7205-91-644 % similar Benzyl phenyl sulfide831-91-444 % similar 4-Phenyl-1-butene768-56-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclopropyl phenyl sulfide14633-54-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook