Isopropylthioglycolate - ≥95% , CAS No.7383-61-1

CAS: 7383-61-1 Cat. No.: I590040 Fórmula: C₅H₁₀O₂S Peso molecular: 134.20 Número CE: ‘230-956-6

GRADE & PURITY ≥95%

Synonyms

Acetic acid,2-mercapto-, 1-methylethyl ester | BS-52924 | LZ0JRQ01AV | ISOPROPYL THIOGLYCOLATE [INCI] | AKOS010939808 | SCHEMBL589942 | propan-2-yl 2-sulfanylacetate | THIOGLYCOLIC ACID ISOPROPYL ESTER | ISOPROPYL THIOGLYCOLATE | METHYL4-METHYL-2-OXOCYCLO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Acetic acid,2-mercapto-, 1-methylethyl ester | BS-52924 | LZ0JRQ01AV | ISOPROPYL THIOGLYCOLATE [INCI] | AKOS010939808 | SCHEMBL589942 | propan-2-yl 2-sulfanylacetate | THIOGLYCOLIC ACID ISOPROPYL ESTER | ISOPROPYL THIOGLYCOLATE | METHYL4-METHYL-2-OXOCYCLO

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CC(C)OC(=O)CS

IUPAC Name

propan-2-yl 2-sulfanylacetate

InChIKey

KLHDJBCAYIXOTA-UHFFFAOYSA-N

INCHI

1S/C5H10O2S/c1-4(2)7-5(6)3-8/h4,8H,3H2,1-2H3

SMILES isoméricas

CC(C)OC(=O)CS

Peso molecular

134.20

Reaxy-Rn

1744998

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744998&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Propriedades químicas e físicas

• Peso molecular: 134.200 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 134.04 Da
• Monoisotopic Mass: 134.04 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.500
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 7383-61-1, the molecular formula is C5H10O2S, and the molecular weight is 134.20 g/mol. InChIKey KLHDJBCAYIXOTA-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.