chempirical

(2-Propen-1-ylthio)benzene

C9H10SCAS 5296-64-0150.24 g/mol

Open in Covalent MOL file
S
Sulfide

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

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

14 names · show all
  • 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 (2-Propen-1-ylthio)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 Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook