chempirical

Diallyl trisulfide

C6H10S3CAS 2050-87-5178.33 g/mol

Open in Covalent MOL file
SSS
AlkeneDisulfide

Properties

Molecular formula
C6H10S3
Molar mass
178.33 g/mol
Exact mass
177.9945 Da
Boiling point
60–95 °C (at 12 Torr)
logP
3.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
2050-87-5
SMILES
C=CCSSSCC=C
InChIKey
UBAXRAHSPKWNCX-UHFFFAOYSA-N
InChI
InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2

Weigh it out

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

Names and synonyms

10 names
  • Trisulfide, di-2-propen-1-yl
  • Allyl trisulfide
  • Trisulfide, di-2-propenyl
  • Di-2-propen-1-yl trisulfide
  • Allitridin
  • Allitridum
  • Di(2-propenyl) trisulfide
  • NSC 651936
  • Allitride
  • DATS

Work with Diallyl trisulfide

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

Diallyl disulfide2179-57-973 % similar Allyl methyl trisulfide34135-85-865 % similar Allyl methyl disulfide2179-58-055 % similar Diallyl sulfide592-88-153 % similar Allyl propyl disulfide2179-59-148 % similar Allyl methyl sulfide10152-76-845 % similar 3-(Propylthio)-1-propene27817-67-038 % similar Allyl bromide106-95-637 % similar

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

Elsewhere

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