chempirical

Allyl methyl sulfide

C4H8SCAS 10152-76-888.17 g/mol

Open in Covalent MOL file
S
AlkeneSulfide

Properties

Molecular formula
C4H8S
Molar mass
88.17 g/mol
Exact mass
88.0347 Da
Density
0.8767 g/mL (at 20 °C)
Boiling point
92 °C
logP
1.54Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,423 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
10152-76-8
SMILES
C=CCSC
InChIKey
NVLPQIPTCCLBEU-UHFFFAOYSA-N
InChI
InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3

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

Names and synonyms

11 names
  • 1-Propene, 3-(methylthio)-
  • Sulfide, allyl methyl
  • 3-(Methylthio)-1-propene
  • Methyl allyl sulfide
  • 3-(Methylthio)propene
  • Methyl 2-propenyl sulfide
  • 2-Propenyl methyl sulfide
  • Allyl methyl thioether
  • 1-(Methylthio)-2-propene
  • Methyl allyl thioether
  • 3-Methylsulfanylprop-1-ene

Work with Allyl methyl sulfide

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

Allyl methyl disulfide2179-58-052 % similar Diallyl disulfide2179-57-950 % similar Diallyl sulfide592-88-150 % similar Allyl methyl trisulfide34135-85-848 % similar Diallyl trisulfide2050-87-545 % similar (Methylthio)acetaldehyde23328-62-343 % similar 3-(Propylthio)-1-propene27817-67-042 % similar Allyl propyl disulfide2179-59-140 % similar

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

Same formula

Tetrahydrothiophene110-01-0

Elsewhere

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