4-Mercapto-4-methylpentanoic acid - ≥97% , CAS No.140231-31-8

CAS: 140231-31-8 Cat. No.: M587157 Peso molecular: 148.23 Número EC: 820-450-9

GRADE & PURITY ≥97%

Synonyms

4-Mercapto-4-methylpentanoicacid | MFCD18451989 | A902986 | BP-22000 | 4-Mercapto-4-methylpentanoic acid | 4-mercapto-4-methyl-pentanoic acid | DTXSID40468847 | 4-METHYL-4-SULFANYLPENTANOIC ACID | Pentanoicacid,4-mercapto-4-methyl- | P19032 | EN300-208023

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-Mercapto-4-methylpentanoicacid | MFCD18451989 | A902986 | BP-22000 | 4-Mercapto-4-methylpentanoic acid | 4-mercapto-4-methyl-pentanoic acid | DTXSID40468847 | 4-METHYL-4-SULFANYLPENTANOIC ACID | Pentanoicacid, 4-mercapto-4-methyl- | P19032 | EN300-208023

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(CCC(=O)O)S
• IUPAC Name: 4-methyl-4-sulfanylpentanoic acid
• InChIKey: SYIFSIGCMOMQRB-UHFFFAOYSA-N
• INCHI: 1S/C6H12O2S/c1-6(2,9)4-3-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
• Isómeros SMILES: CC(C)(CCC(=O)O)S
• Peso molecular: 148.23
• Reaxy-Rn: 1747300
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747300&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Thia fatty acids
• Alternative Parents: Methyl-branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl-branched fatty acid - Thia fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 148.230 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 148.056 Da
• Monoisotopic Mass: 148.056 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 110.000
• 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