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Garlic extract

CAT: 0926-FG36532-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FG36532-01Size:250 g
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CAS Number
8008-99-9
Synonyms
Garlic extract Mixture of mainly diallyldisulfide and diallyl trisulfide
Smiles
C=CCSSSCC=C
Controlled
No

Chemical Information

Diallyl Trisulfide

Diallyl trisulfide is an organic trisulfide that is trisulfane in which both of the hydrogens are replaced by allyl groups. A component of the essential oil of garlic and a major component of the traditional Chinese medicine allitridium, it exhibits antifungal, antitumour and antioxidant activity. It has a role as an antioxidant, an insecticide, an antineoplastic agent, a vasodilator agent, an antilipemic drug, an antiprotozoal drug, a platelet aggregation inhibitor, an estrogen receptor antagonist, an anti-inflammatory agent and an apoptosis inducer.

CAS Number8008-99-9
PubChem CID16315
IUPAC Name3-(prop-2-enyltrisulfanyl)prop-1-ene
Molecular FormulaC6H10S3
Molecular Weight178.3
XLogP2.6
Topological Polar Surface Area75.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity70
SMILES
C=CCSSSCC=C
InChI
InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey
UBAXRAHSPKWNCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diallyl Trisulfide
CAS: 8008-99-9
CID: 16315
Formula: C6H10S3
MW: 178.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.3
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass177.99446384
Monoisotopic Mass177.99446384
Topological Polar Surface Area75.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity70.4
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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