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Diallyl disulfide

CAT: 1596-AR-A01658-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01658-01Size:10 Units
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CAS Number
2179-57-9
Synonyms
1,2-diallyldisulfane; Diallyldisulfide; Diallyl disulphide;1,2-Diallyldisulfane; Disulfide, di-2-propenyl;2-Propenyl disulphide; Allyl disulphide;4,5-Dithia-1,7-octadiene;3-Allyldisulfanyl-Propene;2-Propenyl disulfide; Di (2-propenyl) disulfide
Molecular Formula
C6H10S2
Molecular Weight
146.27
API Name
Allicin

Chemical Information

Diallyl Disulfide

Diallyl disulfide is an organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium. It has a role as an antineoplastic agent, an antifungal agent and a plant metabolite.

CAS Number2179-57-9
PubChem CID16590
IUPAC Name3-(prop-2-enyldisulfanyl)prop-1-ene
Molecular FormulaC6H10S2
Molecular Weight146.3
XLogP2.2
Topological Polar Surface Area50.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity58
SMILES
C=CCSSCC=C
InChI
InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey
PFRGXCVKLLPLIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diallyl Disulfide
CAS: 2179-57-9
CID: 16590
Formula: C6H10S2
MW: 146.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.3
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass146.02239267
Monoisotopic Mass146.02239267
Topological Polar Surface Area50.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity58.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
FD59865-01Diallyl disulfide
HY-W015635RDiallyl disulfide (Standard)
D03200-01Diallyl
HY-129422Diallyl G
T36057-01Diallyl Tetrasulfide
HY-117235-01Diallyl Trisulfide
sc-487695Diallyl Isocyanurate
BUP18797-01Diallyl phthalate
TRC-D416110-5GDiallyl Succinate
sc-255079Diallyl maleate

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