Allyl propyl disulfide

C6H12S2CAS 2179-59-1148.28 g/mol

Open in Covalent MOL file
SS
AlkeneDisulfide

Properties

Molecular formula
C6H12S2
Molar mass
148.28 g/mol
Exact mass
148.0380 Da
Density
0.9 g/mL
Melting point
−15 °C
Boiling point
78–80 °C (at 13 Torr)
Flash point
56.1 °C
Water solubility
< 1 g/L (20 °C)
logP
2.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 96 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2179-59-1
SMILES
C=CCSSCCC
InChIKey
FCSSPCOFDUKHPV-UHFFFAOYSA-N
InChI
InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3

Weigh it out

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

Names and synonyms

8 names
  • Disulfide, 2-propenyl propyl
  • Disulfide, 2-propen-1-yl propyl
  • Disulfide, allyl propyl
  • 2-Propen-1-yl propyl disulfide
  • Propyl allyl disulfide
  • 4,5-Dithia-1-octene
  • 2-Propenyl propyl disulfide
  • 1-(Prop-2-enyldisulfanyl)propane

Work with Allyl propyl 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

3-(Propylthio)-1-propene27817-67-063 % similar Diallyl disulfide2179-57-960 % similar Dipropyl disulfide629-19-655 % similar Allyl methyl disulfide2179-58-048 % similar Diallyl trisulfide2050-87-548 % similar Methylallyl trisulfide34135-85-844 % similar Dipropyl trisulfide6028-61-143 % similar Pentene109-67-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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