Triphenylmethanethiol - ≥97%(HPLC) , CAS No.3695-77-0

CAS: 3695-77-0 Cat. No.: T162385 Peso molecular: 276.4 Beilstein Registry Number: 2113170 Número EC: 223-020-3 PubChem CID: 77281

GRADE & PURITY ≥97%(HPLC)

Synonyms

T2244 | Benzoic acid N-piperidide | Benzenemethanethiol, .alpha.,.alpha.-diphenyl- | NSC22520 | NSC-22520 | SCHEMBL34008 | Benzoic acid, 1,1-dimethylethyl ester | DTXSID1063142 | Methanethiol, triphenyl- | STK331131 | alpha,alpha-Diethoxytoluene | Triphen

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

T2244 | Benzoic acid N-piperidide | Benzenemethanethiol, .alpha., .alpha.-diphenyl- | NSC22520 | NSC-22520 | SCHEMBL34008 | Benzoic acid, 1, 1-dimethylethyl ester | DTXSID1063142 | Methanethiol, triphenyl- | STK331131 | alpha, alpha-Diethoxytoluene | Triphen

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488185391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185391
• Sonrisas canónicas: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S
• IUPAC Name: triphenylmethanethiol
• InChIKey: JQZIKLPHXXBMCA-UHFFFAOYSA-N
• INCHI: 1S/C19H16S/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
• Isómeros SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S
• WGK Alemania: 3
• RTECS: PB5335000
• PubChem CID: 77281
• Peso molecular: 276.4
• Beilstein: 2113170
• Reaxy-Rn: 2113168

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzene and substituted derivatives Alkylthiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Monocyclic benzene moiety - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

HeLa (62764 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Toluene
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 104-106°C(lit.)
• Peso molecular: 276.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 276.097 Da
• Monoisotopic Mass: 276.097 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 235.000
• 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

Referencias

1. Rui Feng, Wei Wang, Tianbo Li, Feifei Yang, Xiaoyan Hu, Xinlong Yan, Lianming Zhao, Shijian Lu.  (2026)  Probing the Distinct Roles of Zeolite-Confined and External Rh Sites by Selective Poisoning in 1-Hexene Hydroformylation Regioselectivity.  Inorganic Chemistry Frontiers,      [PMID:] [10.1039/D5QI02438B]