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Allyl methyl trisulfide

CAT: 0804-HY-134900-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-134900-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Allyl methyl trisulfide is a volatile organic compound and a component of garlic (Allium sativum L.) essential oil, which has antibacterial, antioxidant and antitumor activities[1].
CAS Number
34135-85-8
UNSPSC
12352100
Hazard Statement
H319, H335
Target
Reactive Oxygen Species (ROS)
Type
Natural Products
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Infection; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/allyl-methyl-trisulfide.html
Purity
40.00
Solubility
DMSO : ≥ 200 mg/mL
Smiles
CSSSCC=C
Molecular Formula
C4H8S3
Molecular Weight
152.30
Precautions
H319, H335
References & Citations
[1]Kathiroli Sujithra, et al. Allyl methyl sulfide, an organosulfur compound alleviates hyperglycemia mediated hepatic oxidative stress and inflammation in streptozotocin - induced experimental rats. Biomed Pharmacother. 2018 Nov;107:292-302.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methylallyl trisulfide

platelet aggregation inhibitor in garlic

CAS Number34135-85-8
PubChem CID61926
IUPAC Name3-(methyltrisulfanyl)prop-1-ene
Molecular FormulaC4H8S3
Molecular Weight152.3
XLogP2
Topological Polar Surface Area75.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity44
SMILES
CSSSCC=C
InChI
InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3
InChIKey
JGMPRNFEEAJLAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylallyl trisulfide
CAS: 34135-85-8
CID: 61926
Formula: C4H8S3
MW: 152.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.3
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass151.97881378
Monoisotopic Mass151.97881378
Topological Polar Surface Area75.9 Ų
Heavy Atom Count7
Formal Charge0
Complexity44.2
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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