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Dipropenyl sulfide

CAT: 0804-HY-N12977Size: 1 EachDry Ice: NoHazardous: No
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Description
Dipropenyl sulfide is a constituent of Garlic oil, onion oil[1].
CAS Number
33922-80-4
UNSPSC
12352100
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dipropenyl-sulfide.html
Smiles
C/C=C/S/C=C/C
Molecular Formula
C6H10S
Molecular Weight
114.21
References & Citations
[1]Perchellet JP, et al. Effects of garlic and onion oils on glutathione peroxidase activity, the ratio of reduced/oxidized glutathione and ornithine decarboxylase induction in isolated mouse epidermal cells treated with tumor promoters. Cancer Biochem Biophys. 1986 Oct;8 (4) :299-312.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Di-1-propenyl sulfide

Di-1-propenyl sulfide is an organic sulfide that is hydrogen sulfide substituted by two prop-1-en-1-yl groups. It is a volatile constituent found in garlic and onions. It has a role as a volatile oil component and a flavouring agent. It is an organic sulfide and an olefinic compound.

CAS Number33922-80-4
PubChem CID5370448
IUPAC Name(E)-1-[(E)-prop-1-enyl]sulfanylprop-1-ene
Molecular FormulaC6H10S
Molecular Weight114.21
XLogP2.3
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
C/C=C/S/C=C/C
InChI
InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKey
RJDJXOBGMMKPMH-GGWOSOGESA-N
Chemical Structure
2D Structure
2D structure of Di-1-propenyl sulfide
CAS: 33922-80-4
CID: 5370448
Formula: C6H10S
MW: 114.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.21
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass114.05032149
Monoisotopic Mass114.05032149
Topological Polar Surface Area25.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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