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Allyl Methyl Disulfide

CAT: 0024-sc-472695Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-472695Size:5 g
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CAS Number
2179-58-0

Chemical Information

Allyl methyl disulfide

Allyl methyl disulfide is an organic disulfide having allyl and methyl as the two organic groups. It has a role as a volatile oil component and a plant metabolite.

CAS Number2179-58-0
PubChem CID62434
IUPAC Name3-(methyldisulfanyl)prop-1-ene
Molecular FormulaC4H8S2
Molecular Weight120.2
XLogP1.6
Topological Polar Surface Area50.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity34
SMILES
CSSCC=C
InChI
InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3
InChIKey
XNZOTQPMYMCTBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Allyl methyl disulfide
CAS: 2179-58-0
CID: 62434
Formula: C4H8S2
MW: 120.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.2
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass120.00674260
Monoisotopic Mass120.00674260
Topological Polar Surface Area50.6 Ų
Heavy Atom Count6
Formal Charge0
Complexity34.5
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

Related Products

CatalogName
sc-252359Allyl disulfide
sc-357285Allyl propyl disulfide
sc-357285AAllyl propyl disulfide
sc-233833Allyl methyl ether
sc-487776Allyl Methyl Carbonate
sc-227227Allyl methyl sulfide
sc-485519Methyl furfuryl disulfide
sc-228576Methyl propyl disulfide
sc-235789Methyl 5-allyl-3-methoxysalicylate
sc-3030901-Allyl-1-methyl-but-3-enylamine

Alternative Products

CatalogName
RG-A260622-01Methyl Allyl Disulfide
AR-A05953-01Allyl Methyl Disulfide
HY-W142921SAllyl methyl disulfide-d3
260333-01Allyl propyl disulfide
A14400-01Allyl disulfide Tech. Grade
T5579-01Allyl Methyl Sulfide
OR30434Allyl methyl ether
GTR19221543-01Allyl methyl trisulfide
abx185350-01Allyl methyl carbonate

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