4-Mercaptophenylacetic acid - ≥96% , CAS No.39161-84-7

CAS: 39161-84-7 Cat. No.: M471020 Fórmula: HSC₆H₄CH₂CO₂H Peso molecular: 168.21 Número EC: 627-721-9

GRADE & PURITY ≥96%

Synonyms

AS-35995 | (4-mercaptophenyl)acetic acid | 2-(4-mercaptophenyl)acetic acid | A824433 | ORXSLDYRYTVAPC-UHFFFAOYSA-N | 2-(4-sulfanylphenyl)acetic Acid | EN300-82202 | 4-mercaptophenylaceti cacid | SCHEMBL165930 | 4-Mercaptophenylacetic acid [MI] | 4-Mercapt

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Description

4-Mercaptophenylacetic acid has been used in the preparation of small ubiquitin-like modifier peptides from bis(2-sulfanylethyl)amido peptide via sequential native chemical ligation.It can be used:On-resin preparation of peptide-αthiophenylesters which are used in a chemical ligation process for the chemical synthesis of peptides.In one pot deprotection of (acetamido-methyl)cysteine following native chemical ligation and/or desulfurization method for the preparation of peptides.Palladium facilitated deprotection ofN-terminal cysteine through native chemical ligation method for the preparation of synthetically challenging proteins.

Specifications

Sinónimos

AS-35995 | (4-mercaptophenyl)acetic acid | 2-(4-mercaptophenyl)acetic acid | A824433 | ORXSLDYRYTVAPC-UHFFFAOYSA-N | 2-(4-sulfanylphenyl)acetic Acid | EN300-82202 | 4-mercaptophenylaceti cacid | SCHEMBL165930 | 4-Mercaptophenylacetic acid [MI] | 4-Mercapt

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,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

≥96%

Nombres e identificadores

Pubchem Sid

488194382

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194382

Sonrisas canónicas

C1=CC(=CC=C1CC(=O)O)S

IUPAC Name

2-(4-sulfanylphenyl)acetic acid

InChIKey

ORXSLDYRYTVAPC-UHFFFAOYSA-N

INCHI

1S/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)

Isómeros SMILES

C1=CC(=CC=C1CC(=O)O)S

WGK Alemania

3

Peso molecular

168.21

Reaxy-Rn

2359146

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2359146&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Thiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Monocyclic benzene moiety - Arylthiol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
• 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

• Solubilidad: Slightly soluble in water. Soluble in Dichloromethane, Ethanol and Methanol
• Sensibilidad: air sensitive；heat sensitive
• Punto de fusión (°C): 105-110°C
• Peso molecular: 168.210 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.025 Da
• Monoisotopic Mass: 168.025 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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