Methyl thiobutyrate - ≥98% , CAS No.2432-51-1

CAS: 2432-51-1 Cat. No.: M102997 Summenformel: C₅H₁₀OS Molekulargewicht: 118.2 EG-Nummer: 219-407-1

QUALITÄT & REINHEIT ≥98%

Synonyms

FEMA 3310 | Methyl thiobutanoate | METHYL THIOBUTYRATE [FHFI] | Methyl thiobutyrate, natural, 98%, FG | S-Methyl butanethioate | Methanethiol butyrate | MFCD00009872 | SCHEMBL722981 | s-Methyl thiobutanoate | CHEBI:89255 | LS-13066 | GRLJIIJNZJVMGP-UHFFFA

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

FEMA 3310 | Methyl thiobutanoate | METHYL THIOBUTYRATE [FHFI] | Methyl thiobutyrate, natural, 98%, FG | S-Methyl butanethioate | Methanethiol butyrate | MFCD00009872 | SCHEMBL722981 | s-Methyl thiobutanoate | CHEBI:89255 | LS-13066 | GRLJIIJNZJVMGP-UHFFFA

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508811373

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811373

Kanonisches Lächeln

CCCC(=O)SC

IUPAC Name

S-methyl butanethioate

InChIKey

GRLJIIJNZJVMGP-UHFFFAOYSA-N

INCHI

1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3

Isomere SMILES

CCCC(=O)SC

WGK Deutschland

3

UN-Nummer

1993

Molekulargewicht

118.2

Reaxy-Rn

1848987

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1848987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acyl thioesters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acyl thioesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl thioesters
• Alternative Parents: Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acyl thioester - Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty acyl thioesters. These are thioester derivatives of a fatty acid with the general formula RC(=O)SR', where R is the fatty acyl chain.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 142-143 °C
• Flammpunkt (°F): 93.2 °F
• Flammpunkt (°C): 34 °C
• Siedepunkt (°C): 142-143°C/757mmHg
• Molekulargewicht: 118.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 118.045 Da
• Monoisotopic Mass: 118.045 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 61.100
• 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