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· · COA & SDS available for every product · Same-day shipping on in-stock items 6-Amino-2-[(4-methylbenzyl)thio]-4(3H)-pyrimidinone , CAS No.166751-35-5
Synonyms
6-AMINO-2-[(4-METHYLBENZYL)THIO]-4(3H)-PYRIMIDINONE | 6-Amino-2-((4-methylbenzyl)thio)pyrimidin-4(3H)-one | 4-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one | CHEMBRDG-BB 7379448 | MFCD03536215 | Oprea1_223875 | Oprea1_473706 | MLS001208224 |
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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
6-AMINO-2-[(4-METHYLBENZYL)THIO]-4(3H)-PYRIMIDINONE | 6-Amino-2-((4-methylbenzyl)thio)pyrimidin-4(3H)-one | 4-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one | CHEMBRDG-BB 7379448 | MFCD03536215 | Oprea1_223875 | Oprea1_473706 | MLS001208224 |
Product Properties Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)CSC2=NC(=CC(=O)N2)N IUPAC Name 4-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one InChIKey OQQZKAPKMXBJSE-UHFFFAOYSA-N INCHI 1S/C12H13N3OS/c1-8-2-4-9(5-3-8)7-17-12-14-10(13)6-11(16)15-12/h2-6H,7H2,1H3,(H3,13,14,15,16) Isomeric SMILES CC1=CC=C(C=C1)CSC2=NC(=CC(=O)N2)N PubChem CID 135439429 Molecular Weight 247.32
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 Aryl thioethers Alternative Parents Toluenes Pyrimidones Aminopyrimidines and derivatives Alkylarylthioethers Hydropyrimidines Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl thioether - Aminopyrimidine - Pyrimidone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. 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 247.320 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 247.078 Da Monoisotopic Mass 247.078 Da Topological Polar Surface Area 92.800 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 357.000 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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