S-Allylthiobenzene

C₉H₁₀SCAS 5296-64-0150.24 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

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

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

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

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

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