Diallyl disulfide

C6H10S2CAS 2179-57-9146.27 g/mol

Open in Covalent MOL file
SS
AlkeneDisulfide

Properties

Molecular formula
C6H10S2
Molar mass
146.27 g/mol
Exact mass
146.0224 Da
Density
1.01 g/mL (at 15 °C)
Boiling point
79 °C (at 16 Torr)
logP
2.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 1,647 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
2179-57-9
SMILES
C=CCSSCC=C
InChIKey
PFRGXCVKLLPLIP-UHFFFAOYSA-N
InChI
InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2

Weigh it out

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

Names and synonyms

12 names
  • Disulfide, di-2-propen-1-yl
  • Allyl disulfide
  • Disulfide, di-2-propenyl
  • Di-2-propen-1-yl disulfide
  • Diallyl disulphide
  • 4,5-Dithia-1,7-octadiene
  • Garlicin
  • Di(2-propenyl) disulfide
  • Bis(2-propenyl) disulfide
  • Dipropenyl disulfide
  • NSC 29228
  • 1,2-Diallyldisulfane

Work with Diallyl disulfide

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 trisulfide2050-87-573 % similar Allyl methyl disulfide2179-58-061 % similar Allyl propyl disulfide2179-59-160 % similar Diallyl sulfide592-88-160 % similar Methylallyl trisulfide34135-85-855 % similar Allyl methyl sulfide10152-76-850 % similar Allyl bromide106-95-641 % similar 3-(Propylthio)-1-propene27817-67-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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