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

CAS: 3695-77-0 Cat. No.: T162385 Formula: C₁₉H₁₆S Peso molecolare: 276.4 Beilstein Registry Number: 2113170 Numero 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

Sinonimi

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

Specifiche e purezza

≥97%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(HPLC)

Nomi e identificatori

• Pubchem Sid: 488185391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185391
• Sorrisi canonici: 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
• Isomeri SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S
• WGK Germania: 3
• RTECS: PB5335000
• PubChem CID: 77281
• Peso molecolare: 276.4
• Beilstein: 2113170
• Reaxy-Rn: 2113168

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Toluene
• Sensibilità: Air Sensitive
• Punto di fusione (°C): 104-106°C(lit.)
• Peso molecolare: 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

Riferimenti

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]

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3695-77-0, the molecular formula is C19H16S, and the molecular weight is 276.4 g/mol. InChIKey JQZIKLPHXXBMCA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.