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

CAS: 3695-77-0 Cat. No.: T162385 Molecular Weight: 276.4 Beilstein Registry Number: 2113170 EC Number: 223-020-3 PubChem CID: 77281
AVAILABLE TO ORDER
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
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
T162385-1g
2
$9.90
5g
T162385-5g
4
$10.90
25g
T162385-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$27.90

$41.90
Save $14.00 (33.41%)
100g
T162385-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$89.90

$134.90
Save $45.00 (33.36%)
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Why this grade

≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
Specifications & Purity
≥97%(HPLC)
Storage
Room temperature
Shipped In
Normal
Purity
≥97%(HPLC)
Names and Identifiers
Pubchem Sid488185391
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488185391
Canonical SmilesC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S
IUPAC Nametriphenylmethanethiol
InChIKeyJQZIKLPHXXBMCA-UHFFFAOYSA-N
INCHI1S/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
Isomeric SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S
WGK Germany 3
RTECS PB5335000
PubChem CID 77281
Molecular Weight 276.4
Beilstein 2113170
Reaxy-Rn 2113168

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassTriphenyl compounds
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTriphenyl compounds
Alternative Parents Benzene and substituted derivatives  Alkylthiols  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Triphenyl compound - Monocyclic benzene moiety - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

17 results found

Lot NumberCertificate TypeDateItem
C2115069Certificate of AnalysisDec 11, 2024 T162385
C2115071Certificate of AnalysisDec 11, 2024 T162385
A2111043Certificate of AnalysisNov 08, 2024 T162385
D2508099Certificate of AnalysisJun 24, 2024 T162385
I2409274Certificate of AnalysisJun 24, 2024 T162385
I2409275Certificate of AnalysisJun 24, 2024 T162385
I2409276Certificate of AnalysisJun 24, 2024 T162385
L2518651Certificate of AnalysisAug 22, 2022 T162385
J2215526Certificate of AnalysisAug 22, 2022 T162385
J2215525Certificate of AnalysisAug 22, 2022 T162385
J2215514Certificate of AnalysisAug 22, 2022 T162385
J2215513Certificate of AnalysisAug 22, 2022 T162385
F2602052Certificate of AnalysisAug 22, 2022 T162385
F2307300Certificate of AnalysisAug 22, 2022 T162385
E2608096Certificate of AnalysisAug 22, 2022 T162385
I1806075Certificate of AnalysisJul 08, 2022 T162385
E1808153Certificate of AnalysisMar 31, 2022 T162385

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Chemical and Physical Properties
SolubilitySoluble in Toluene
SensitivityAir Sensitive
Melt Point(°C)104-106°C(lit.)
Molecular Weight276.400 g/mol
XLogP34.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass276.097 Da
Monoisotopic Mass276.097 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity235.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
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]
Solution Calculators
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