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

CAS: 592-88-1 Cat. No.: D101110 Fórmula: C6H10S Peso molecular: 114.21 Beilstein Registry Number: 1736016 Número CE: 209-775-1
Disponível para encomenda
GRADE & PURITY ≥98%
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
Storage
Store at 2-8°C
Shipped In
Wet ice,FedEx DG Service
★
Size
USA
Alemanha (EU)*
Price
Qty
5g
D101110-5g
2 Em stock
—
9,90US$
25g
D101110-25g
3 Em stock
—
18,90US$
100g
D101110-100g
Em stock ≥10
—
64,90US$
500g
D101110-500g
1 Em stock
—
292,90US$
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice,FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

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.


Specifications

Sinónimos
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
Especificações e pureza
≥98%
Mecanismos bioquímicos e fisiológicos
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.
Condições de armazenamento de armazenamento
Store at 2-8°C
Enviado em
Wet ice,FedEx DG Service
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Pureza
≥98%
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508812192
Sorrisos canónicos
C=CCSCC=C
IUPAC Name
3-prop-2-enylsulfanylprop-1-ene
InChIKey
UBJVUCKUDDKUJF-UHFFFAOYSA-N
INCHI
1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
SMILES isoméricas
C=CCSCC=C
WGK Alemanha
2
RTECS
BC4900000
Número UN
1993
Peso molecular
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClasseAllyl sulfur compounds
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAllyl sulfur compounds
Alternative Parents Sulfenyl compounds  Dialkylthioethers  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Allyl sulfur compound - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Aliphatic acyclic compound
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HBA1 Tclin Hemoglobin HbA (880 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SCNN1A Tclin Amiloride-sensitive sodium channel, ENaC (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mdr1a Multidrug resistance protein 1a (106 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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.

13 results found

Lot NumberCertificate TypeDataItem
C1918180Certificate of AnalysisJul 07, 2026 D101110
J2410413Certificate of AnalysisJul 06, 2026 D101110
L2216663Certificate of AnalysisJul 06, 2026 D101110
L2216670Certificate of AnalysisJul 06, 2026 D101110
L2216707Certificate of AnalysisJul 06, 2026 D101110
L2216714Certificate of AnalysisJul 06, 2026 D101110
F2610034Certificate of AnalysisJun 30, 2026 D101110
A2616148Certificate of AnalysisJan 28, 2026 D101110
F2122066Certificate of AnalysisDec 16, 2024 D101110
F2122065Certificate of AnalysisDec 16, 2024 D101110
D2425288Certificate of AnalysisApr 02, 2024 D101110
D2425290Certificate of AnalysisApr 02, 2024 D101110
D2425292Certificate of AnalysisApr 02, 2024 D101110
Propriedades químicas e físicas
SolubilidadeNot soluble in water, but miscible with ethanol, ether, chloroform, and carbon tetrachloride.
Índice de refração1.4879-1.4899
Ponto de inflamação (°F)114.8 °F
Ponto de inflamação (°C)46℃
Ponto de ebulição (°C)138°C
Ponto de fusão (°C)-83°C
Peso molecular114.210 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass114.05 Da
Monoisotopic Mass114.05 Da
Topological Polar Surface Area25.300 Ų
Heavy Atom Count7
Formal Charge0
Complexity49.200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
FAQs e artigos
Citations of This Product
Calculadoras de soluções
Revisões

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