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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(4-FLUOROPHENYL)-2-PYRIMIDINETHIOL , CAS No.155957-43-0
Synonyms
6-(4-Fluorophenyl)pyrimidine-2(1H)-thione | 4-(4-Fluoro-phenyl)-pyrimidine-2-thiol | 4-(4-fluorophenyl)pyrimidine-2-thiol | 6-(4-fluorophenyl)-1H-pyrimidine-2-thione | MLS000326369 | BBL038397 | HMS2485D16 | 2(1H)-Pyrimidinethione, 6-(4-fluorophenyl)- | 4
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 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
6-(4-Fluorophenyl)pyrimidine-2(1H)-thione | 4-(4-Fluoro-phenyl)-pyrimidine-2-thiol | 4-(4-fluorophenyl)pyrimidine-2-thiol | 6-(4-fluorophenyl)-1H-pyrimidine-2-thione | MLS000326369 | BBL038397 | HMS2485D16 | 2(1H)-Pyrimidinethione, 6-(4-fluorophenyl)- | 4
Names and Identifiers Canonical Smiles C1=CC(=CC=C1C2=CC=NC(=S)N2)F IUPAC Name 6-(4-fluorophenyl)-1H-pyrimidine-2-thione InChIKey IKNROSDVLWITKJ-UHFFFAOYSA-N INCHI 1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14) Isomeric SMILES C1=CC(=CC=C1C2=CC=NC(=S)N2)F PubChem CID 1474642 Molecular Weight 206.243
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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Phenylpyrimidines Alternative Parents Pyrimidinethiones Fluorobenzenes 2-Thiopyrimidines Hydropyrimidines Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents 4-phenylpyrimidine - 5-phenylpyrimidine - Fluorobenzene - Halobenzene - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Hydropyrimidine - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 206.240 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 206.031 Da Monoisotopic Mass 206.031 Da Topological Polar Surface Area 56.500 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 290.000 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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