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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(Trifluoromethyl)pyridine-2-thiol - ≥97% , CAS No.104040-74-6
Synonyms
3-(Trifluoromethyl)pyridine-2(1H)-thione | BBL100902 | D94700 | 3-(Trifluoromethyl)-2-mercaptopyridine | 3-(trifluoromethyl)pyridine-2-thiol | DTXSID10374820 | AKOS000151184 | 2-Mercapto-3-trifluoromethylpyridine | 3-(trifluoromethyl)-2-pyridinethiol | 3-
Storage
Argon charged,Room temperature
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
3-(Trifluoromethyl)pyridine-2(1H)-thione | BBL100902 | D94700 | 3-(Trifluoromethyl)-2-mercaptopyridine | 3-(trifluoromethyl)pyridine-2-thiol | DTXSID10374820 | AKOS000151184 | 2-Mercapto-3-trifluoromethylpyridine | 3-(trifluoromethyl)-2-pyridinethiol | 3-
Specifications & Purity
≥97%
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 488193140 Canonical Smiles C1=CNC(=S)C(=C1)C(F)(F)F IUPAC Name 3-(trifluoromethyl)-1H-pyridine-2-thione InChIKey ACGSRAAAQJSWLC-UHFFFAOYSA-N INCHI 1S/C6H4F3NS/c7-6(8,9)4-2-1-3-10-5(4)11/h1-3H,(H,10,11) Isomeric SMILES C1=CNC(=S)C(=C1)C(F)(F)F WGK Germany 3 PubChem CID 2759526 Molecular Weight 179.16
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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyridines and derivatives Subclass Hydropyridines Intermediate Tree Nodes Not available Direct Parent Dihydropyridines Alternative Parents Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Dihydropyridine - Heteroaromatic compound - Thiolactam - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds. 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 178-183 °C Molecular Weight 179.170 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 179.002 Da Monoisotopic Mass 179.002 Da Topological Polar Surface Area 44.100 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 239.000 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
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