3-methylsulfanylbicyclo[1.1.1]pentane-1-carboxylic acid - ≥97% , CAS No.2387598-76-5

CAS: 2387598-76-5 Cat. No.: M632960 Molecular Weight: 158.22 PubChem CID: 145944955

GRADE & PURITY ≥97%

Synonyms

3-methylsulfanylbicyclo[1.1.1]pentane-1-carboxylic acid | 2387598-76-5 | 3-methylsulfanylbicyclo[1.1.1]pentane-1-carboxylicacid | MFCD32661363 | P19865

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-methylsulfanylbicyclo[1.1.1]pentane-1-carboxylic acid | 2387598-76-5 | 3-methylsulfanylbicyclo[1.1.1]pentane-1-carboxylicacid | MFCD32661363 | P19865

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CSC12CC(C1)(C2)C(=O)O
• IUPAC Name: 3-methylsulfanylbicyclo[1.1.1]pentane-1-carboxylic acid
• InChIKey: AXEXKAMBPMWYPE-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2S/c1-10-7-2-6(3-7,4-7)5(8)9/h2-4H2,1H3,(H,8,9)
• PubChem CID: 145944955
• Molecular Weight: 158.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Thia fatty acids
• Alternative Parents: Branched fatty acids Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Thia fatty acid - Branched fatty acid - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the 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