Dimethyl 2,2'-thiodiacetate - ≥98% , CAS No.16002-29-2

CAS: 16002-29-2 Cat. No.: D587476 Formula: C₆H₁₀O₄S Peso molecolare: 178.21 Numero EC: ‘240-135-4

GRADE & PURITY ≥98%

Synonyms

DTXSID10166787 | methyl 2-(2-methoxy-2-oxoethyl)sulfanylacetate | MFCD00234244 | SCHEMBL11056301 | Acetic acid, 2,2'-thiobis-, dimethyl ester | Q63396573 | Acetic acid, 2,2'-thiobis-, 1,1'-dimethyl ester | FS-5499 | methoxycarbonylmethyl sulfide | Dimethy

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

DTXSID10166787 | methyl 2-(2-methoxy-2-oxoethyl)sulfanylacetate | MFCD00234244 | SCHEMBL11056301 | Acetic acid, 2,2'-thiobis-, dimethyl ester | Q63396573 | Acetic acid, 2,2'-thiobis-, 1,1'-dimethyl ester | FS-5499 | methoxycarbonylmethyl sulfide | Dimethy

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504755800
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755800
• Sorrisi canonici: COC(=O)CSCC(=O)OC
• IUPAC Name: methyl 2-(2-methoxy-2-oxoethyl)sulfanylacetate
• InChIKey: ZQUQLLPRRJVUES-UHFFFAOYSA-N
• INCHI: 1S/C6H10O4S/c1-9-5(7)3-11-4-6(8)10-2/h3-4H2,1-2H3
• Isomeri SMILES: COC(=O)CSCC(=O)OC
• Peso molecolare: 178.21
• Reaxy-Rn: 1775711
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1775711&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiodiacetic acid derivatives
• Alternative Parents: Methyl esters Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiodiacetic_acid - Methyl ester - Carboxylic acid ester - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thiodiacetic acid derivatives. These are compounds containing a thiodiacetic acid group (or esters/salts thereof) which is made up of two 2-sulfanylacetic (OC(=O)CS) acid moieties sharing their sulfur atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 178.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 178.03 Da
• Monoisotopic Mass: 178.03 Da
• Topological Polar Surface Area: 77.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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

Riferimenti

1. Xiafen Hu, Xiang Li, Huimin Yang, Chengjia Xu, Weiqiang Xiong, Xiang Guo, Changsheng Xie, Dawen Zeng.  (2022)  Active W Sites Promoted by Defect Engineering Enhanced C2H6S3 Sensing Performance of WO3 Nanosheets.  ACS Sensors,      [PMID:35734877] [10.1021/acssensors.2c00487]

2. Qu Huan, Dai Ludan, Guo Zhen, Wang Junjie, Zhang Xiu, Chen Wenjuan, Chen Yang.  (2024)  Antifungal activity of dimethyl trisulfide and potential biocontrol against Alternaria alternata on postharvest Lycium barbarum.  EUROPEAN JOURNAL OF PLANT PATHOLOGY,      [PMID:] [10.1007/s10658-024-02972-4]

3. Qu Huan, Yang Ershuai, Li Zongze, Li Yaoxuan.  (2026)  Dimethyl trisulfide inhibits Alternaria alternata by disrupting reactive oxygen species (ROS) homeostasis and energy metabolism.  EUROPEAN JOURNAL OF PLANT PATHOLOGY,      [PMID:] [10.1007/s10658-026-03266-7]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16002-29-2, the molecular formula is C6H10O4S, and the molecular weight is 178.21 g/mol. InChIKey ZQUQLLPRRJVUES-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.