chempirical

Diallyl sulfide

C6H10SCAS 592-88-1114.21 g/mol

Open in Covalent MOL file
S
AlkeneSulfide

Properties

Molecular formula
C6H10S
Molar mass
114.21 g/mol
Exact mass
114.0503 Da
Melting point
−85 °C
Boiling point
138.6 °C
logP
2.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
592-88-1
SMILES
C=CCSCC=C
InChIKey
UBJVUCKUDDKUJF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

Weigh it out

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

Names and synonyms

11 names
  • 1-Propene, 3,3′-thiobis-
  • Allyl sulfide
  • 3,3′-Thiobis[1-propene]
  • Allyl monosulfide
  • Thioallyl ether
  • Diallyl monosulfide
  • Oil garlic
  • Diallyl thioether
  • Di(2-propenyl) sulfide
  • Bis(2-propenyl) sulfide
  • NSC 20947

Work with Diallyl 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

Diallyl disulfide2179-57-960 % similar 3-(Propylthio)-1-propene27817-67-055 % similar Diallyl trisulfide2050-87-553 % similar Allyl methyl sulfide10152-76-850 % similar Allyl methyl disulfide2179-58-045 % similar Allyl bromide106-95-641 % similar Allyl methyl trisulfide34135-85-841 % similar 1,4-Pentadiene591-93-540 % similar

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

Same formula

7-Thiabicyclo[4.1.0]heptane286-28-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook