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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-chloro-8-isopropyl-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazine - ≥97% , CAS No.1453186-96-3
Synonyms
1453186-96-3 | 4-Chloro-8-isopropyl-2-methylsulfanyl-pyrazolo[1,5-a][1,3,5]triazine | 4-Chloro-8-isopropyl-2-(methylthio)pyrazolo[1,5-a][1,3,5]triazine | 4-chloro-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine | SCHEMBL15224428 | MFCD2840493
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Why this grade ≥97% 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
1453186-96-3 | 4-Chloro-8-isopropyl-2-methylsulfanyl-pyrazolo[1, 5-a][1, 3, 5]triazine | 4-Chloro-8-isopropyl-2-(methylthio)pyrazolo[1, 5-a][1, 3, 5]triazine | 4-chloro-2-methylsulfanyl-8-propan-2-ylpyrazolo[1, 5-a][1, 3, 5]triazine | SCHEMBL15224428 | MFCD2840493
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)C1=C2N=C(N=C(N2N=C1)Cl)SC IUPAC Name 4-chloro-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine InChIKey RRBPEHJNXHJYQN-UHFFFAOYSA-N INCHI 1S/C9H11ClN4S/c1-5(2)6-4-11-14-7(6)12-9(15-3)13-8(14)10/h4-5H,1-3H3 Isomeric SMILES CC(C)C1=C2N=C(N=C(N2N=C1)Cl)SC PubChem CID 89778687 Molecular Weight 242.73
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 Pyrazolotriazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Pyrazolotriazines Alternative Parents Pyrazolo[1,5-a][1,3,5]triazines Methylthio-s-triazines Alkyl-2-thio-S-triazines Chloro-s-triazines Alkylarylthioethers Aryl chlorides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - Methylthio-s-triazine - Alkyl-2-thio-s-triazine - Aryl thioether - Chloro-s-triazine - Halo-s-triazine - Alkylarylthioether - Aryl chloride - Aryl halide - 1,3,5-triazine - Triazine - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Triazine is a 6-membered ring consisting of three carbon atoms and three nitrogen centers. 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 Molecular Weight 242.730 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 242.039 Da Monoisotopic Mass 242.039 Da Topological Polar Surface Area 68.400 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 228.000 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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