2-(Tritylthio)acetic acid - ≥98% , CAS No.34914-36-8

CAS: 34914-36-8 Cat. No.: T588823 Molecular Weight: 334.43 EC Number: 959-419-0 PubChem CID: 4245306

GRADE & PURITY ≥98%

Synonyms

Acetic acid, [(triphenylmethyl)thio]- | 2-(triphenylmethylthio)acetic acid | s-triphenylmethyl-mercaptoacetic acid | S-Trityl-mercaptoacetic acid | 2-tritylsulfanylacetic Acid | D82151 | 2-(triphenylmethylthio)ethanoic Acid | BS-16933 | AKOS024355933 | RY

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Acetic acid, [(triphenylmethyl)thio]- | 2-(triphenylmethylthio)acetic acid | s-triphenylmethyl-mercaptoacetic acid | S-Trityl-mercaptoacetic acid | 2-tritylsulfanylacetic Acid | D82151 | 2-(triphenylmethylthio)ethanoic Acid | BS-16933 | AKOS024355933 | RY

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(=O)O
• IUPAC Name: 2-tritylsulfanylacetic acid
• InChIKey: RYRPHZROJNDXEV-UHFFFAOYSA-N
• INCHI: 1S/C21H18O2S/c22-20(23)16-24-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(=O)O
• PubChem CID: 4245306
• Molecular Weight: 334.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzene and substituted derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Monocyclic benzene moiety - Dialkylthioether - Sulfenyl compound - Thioether - 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
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Chemical and Physical Properties

• Molecular Weight: 334.400 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 334.103 Da
• Monoisotopic Mass: 334.103 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 345.000
• 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