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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-({4-[(4-bromophenyl)thio]-3,5-dimethyl-1H-pyrazol-1-yl}carbonyl)pyridine , CAS No.6073-04-7
Synonyms
MLS000572577 | SMR000194076 | 3-({4-[(4-bromophenyl)thio]-3,5-dimethyl-1H-pyrazol-1-yl}carbonyl)pyridine | AE-641/40790579 | [4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-pyridin-3-ylmethanone | CBMicro_044020 | BDBM57474 | cid_1185497 | DTXSID1036
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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 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
MLS000572577 | SMR000194076 | 3-({4-[(4-bromophenyl)thio]-3, 5-dimethyl-1H-pyrazol-1-yl}carbonyl)pyridine | AE-641/40790579 | [4-(4-bromophenyl)sulfanyl-3, 5-dimethylpyrazol-1-yl]-pyridin-3-ylmethanone | CBMicro_044020 | BDBM57474 | cid_1185497 | DTXSID1036
Product Properties Names and Identifiers Canonical Smiles CC1=C(C(=NN1C(=O)C2=CN=CC=C2)C)SC3=CC=C(C=C3)Br IUPAC Name [4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-pyridin-3-ylmethanone InChIKey BQOVVEJDXLCQPF-UHFFFAOYSA-N INCHI 1S/C17H14BrN3OS/c1-11-16(23-15-7-5-14(18)6-8-15)12(2)21(20-11)17(22)13-4-3-9-19-10-13/h3-10H,1-2H3 Isomeric SMILES CC1=C(C(=NN1C(=O)C2=CN=CC=C2)C)SC3=CC=C(C=C3)Br Molecular Weight 388.3 Reaxy-Rn 51175706 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51175706&ln=
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 Organosulfur compounds Class Thioethers Subclass Aryl thioethers Intermediate Tree Nodes Not available Direct Parent Diarylthioethers Alternative Parents Pyridinecarboxylic acids and derivatives Thiophenol ethers Bromobenzenes Aryl bromides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Diarylthioether - Pyridine carboxylic acid or derivatives - Thiophenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. 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 388.300 g/mol XLogP3 4.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 387.004 Da Monoisotopic Mass 387.004 Da Topological Polar Surface Area 73.100 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 417.000 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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