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Methyl propyl disulfide

CAT: 0804-HY-N7436-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7436-01Size:500 mg
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Description
Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2].
CAS Number
2179-60-4
UNSPSC
12352100
Hazard Statement
H226, H319
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/methyl-propyl-disulfide.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CCCSSC
Molecular Formula
C4H10S2
Molecular Weight
122.25
Precautions
H226, H319
References & Citations
[1]Rajkumar Nandakumar, et al. Impact of Pulsed Electric Fields on the Volatile Compounds Produced in Whole Onions (Allium cepa and Allium fistulosum) . Foods. 2018 Nov 7;7 (11) :183.|[2]T Matsuda, et al. Dose-dependent inhibition of glutathione S-transferase placental form-positive hepatocellular foci induction in the rat by methyl propyl disulfide and propylene sulfide from garlic and onions. Cancer Lett. 1994 Nov 11;86 (2) :229-34.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Methyl propyl disulfide

Methyl propyl disulfide is an organic disulfide.

CAS Number2179-60-4
PubChem CID16592
IUPAC Name1-(methyldisulfanyl)propane
Molecular FormulaC4H10S2
Molecular Weight122.3
XLogP1.8
Topological Polar Surface Area50.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity21
SMILES
CCCSSC
InChI
InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3
InChIKey
PUCHCUYBORIUSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl propyl disulfide
CAS: 2179-60-4
CID: 16592
Formula: C4H10S2
MW: 122.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.3
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass122.02239267
Monoisotopic Mass122.02239267
Topological Polar Surface Area50.6 Ų
Heavy Atom Count6
Formal Charge0
Complexity21.5
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

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