4-Mercaptobutyric acid - ≥95% , CAS No.13095-73-3

CAS: 13095-73-3 Cat. No.: M478661 Peso molecular: 120.17 Número EC: 236-013-5

GRADE & PURITY ≥95%

Synonyms

CHEBI:138400 | DTRIDVOOPAQEEL-UHFFFAOYSA-N | AM20080221 | 4-Thiobutyric Acid | F20547 | FT-0671084 | gamma-sulfanylbutyric acid | BDBM50311532 | 4-Mercaptobutanoicacid | BUTYRIC ACID, 4-MERCAPTO- | BRN 0773863 | GMBA | MFCD00053842 | A858156 | 4-Mercaptob

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

CHEBI:138400 | DTRIDVOOPAQEEL-UHFFFAOYSA-N | AM20080221 | 4-Thiobutyric Acid | F20547 | FT-0671084 | gamma-sulfanylbutyric acid | BDBM50311532 | 4-Mercaptobutanoicacid | BUTYRIC ACID, 4-MERCAPTO- | BRN 0773863 | GMBA | MFCD00053842 | A858156 | 4-Mercaptob

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(CC(=O)O)CS
• IUPAC Name: 4-sulfanylbutanoic acid
• InChIKey: DTRIDVOOPAQEEL-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
• Isómeros SMILES: C(CC(=O)O)CS
• WGK Alemania: 3
• Peso molecular: 120.17
• Reaxy-Rn: 773863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773863&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: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thia fatty acid - Straight chain 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Peso molecular: 120.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.025 Da
• Monoisotopic Mass: 120.025 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• 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

Referencias

1. Shixin Li, Yuye Yin, Dongmei Hou, Yongchao Jin, Yuan Zhao, Jiangbo Tong, Xu Liu, Guomin Shen, Tongtao Yue, Kang Liu, Yi Gu, Luju Chen, Fangzhe Ren, Jinlin Huang, Jian-Ke Tie, Zhenyu Hao.  (2025)  Selective targeting of coagulation factor X Gla domain by negatively charged gold nanoparticles: a novel method for controlled antithrombotic therapy.  Materials Today Bio,      [PMID:41111485] [10.1016/j.mtbio.2025.102378]