2-(4-Aminophenylthio)acetic acid - ≥97% , CAS No.104-18-7

CAS: 104-18-7 Cat. No.: A165606 Peso molecular: 183.23 Número EC: 203-182-1

GRADE & PURITY ≥97%

Synonyms

AKOS005206813 | p-Aminothiophenoxyacetic acid | 2-((4-Aminophenyl)thio)aceticacid | 6ZV6XHL9WA | [(p-Aminophenyl)thio]acetic acid | AS-47758 | S-(p-Aminophenyl)thioglycolic acid | Acetic acid, ((4-aminophenyl)thio)- | EN300-1168865 | Acetic acid, [(p-amin

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

AKOS005206813 | p-Aminothiophenoxyacetic acid | 2-((4-Aminophenyl)thio)aceticacid | 6ZV6XHL9WA | [(p-Aminophenyl)thio]acetic acid | AS-47758 | S-(p-Aminophenyl)thioglycolic acid | Acetic acid, ((4-aminophenyl)thio)- | EN300-1168865 | Acetic acid, [(p-amin

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488183875
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183875
• Sonrisas canónicas: C1=CC(=CC=C1N)SCC(=O)O
• IUPAC Name: 2-(4-aminophenyl)sulfanylacetic acid
• InChIKey: CTPIHHXCACYCIV-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)
• Isómeros SMILES: C1=CC(=CC=C1N)SCC(=O)O
• WGK Alemania: 3
• Peso molecular: 183.23
• Reaxy-Rn: 2720454
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2720454&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Aniline and substituted anilines Alkylarylthioethers Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Aniline or substituted anilines - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

• Solubilidad: Soluble in methanol, acetone, toluene, n-octanol, acetonitrile, ethyl acetate, dichloromethane.
• Sensibilidad: Air sensitive
• Punto de fusión (°C): 200°C
• Peso molecular: 183.230 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.035 Da
• Monoisotopic Mass: 183.035 Da
• Topological Polar Surface Area: 88.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• 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