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Diallyl sulfide - 98%, high purity , CAS No.592-88-1

1 Citations COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
D101110
Grouped product items
SKU Size
Availability
 Price Qty
D101110-5g
5g
3
$9.90
D101110-25g
25g
3
$18.90
D101110-100g
100g
2
$64.90
D101110-500g
500g
1
$292.90
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Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms NSC 20947 | 1-Propene,3'-thiobis- | 3-allylsulfanylprop-1-ene | 3-Allylsulfanyl-propene | Di(2-propenyl) sulfide | LS-13159 | SPBio_000793 | Allyl sulfide, 97% | HSDB 7333 | 4-01-00-02097 (Beilstein Handbook Reference) | DI(2-PROPENYL) SULPHIDE | 3-(Allyl
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms Organic sulfur compounds from garlic can inhibit the chemical induced carcinogenesis of experimental animals. The competitive inhibitor of cytochrome P450 2E1 (CYP2E1) correspondingly blocks the activation of several chemical carcinogens.
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Application：

Diallyl sulfide is a modulator of drug metabolizing enzyme P450 system and inducer of the phase II detoxifying enzyme GST. Diallyl sulfide is also an inhibitor of CYP2E1 and believed to prevent chemically-induced carcinogenesis in many tissues. It is also used as a food additive. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organosulfur compounds
Class Allyl sulfur compounds
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Allyl sulfur compounds
Alternative Parents Sulfenyl compounds  Dialkylthioethers  Hydrocarbon derivatives  
Molecular Framework Aliphatic acyclic compounds
Substituents Allyl sulfur compound - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Aliphatic acyclic compound
Description This compound belongs to the class of organic compounds known as allyl sulfur compounds. These are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS.
External Descriptors organic sulfide

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HBA1 Tclin Hemoglobin HbA (880 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SCNN1A Tclin Amiloride-sensitive sodium channel, ENaC (10 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDCK (10148 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mdr1a Multidrug resistance protein 1a (106 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 3-prop-2-enylsulfanylprop-1-ene
INCHI InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
InChIKey UBJVUCKUDDKUJF-UHFFFAOYSA-N
Smiles C=CCSCC=C
Isomeric SMILES C=CCSCC=C
WGK Germany 2
RTECS BC4900000
UN Number 1993
Molecular Weight 114.21
Beilstein 1736016
Reaxy-Rn 1736016
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736016&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number Certificate Type Date Item
L2216714 Certificate of Analysis Sep 06, 2024 D101110
L2216707 Certificate of Analysis Sep 06, 2024 D101110
L2216663 Certificate of Analysis Sep 06, 2024 D101110
L2216670 Certificate of Analysis Sep 06, 2024 D101110
D2425288 Certificate of Analysis Apr 02, 2024 D101110
D2425290 Certificate of Analysis Apr 02, 2024 D101110
D2425292 Certificate of Analysis Apr 02, 2024 D101110
F2122066 Certificate of Analysis Mar 16, 2023 D101110
F2122065 Certificate of Analysis Mar 16, 2023 D101110
C1918180 Certificate of Analysis Jan 18, 2023 D101110
J2410413 Certificate of Analysis Oct 25, 2022 D101110

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Chemical and Physical Properties

Solubility Not soluble in water, but miscible with ethanol, ether, chloroform, and carbon tetrachloride.
Refractive Index 1.4879-1.4899
Flash Point(°F) 114.8 °F
Flash Point(°C) 46℃
Boil Point(°C) 138°C
Melt Point(°C) -83°C
Molecular Weight 114.210 g/mol
XLogP3 2.200
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 114.05 Da
Monoisotopic Mass 114.05 Da
Topological Polar Surface Area 25.300 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 49.200
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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