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· · COA & SDS available for every product · Same-day shipping on in-stock items Benzylthiouracil - ≥98% , CAS No.6336-50-1
Synonyms
Benzylthiouracil | 6-Benzyl-2-thiouracil | Basdene | bentiuracil | PZ35LUM333 | NSC-39511 | NSC6508 | NSC-6508 | 6-benzyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one | 6-benzyl-2-mercaptopyrimidin-4(3H)-one | 6-benzyl-2-sulfanylidene-1H-pyrimidin-4-one
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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.
Overview
Benzylthiouracil is an antihyperthyroid active pharmaceutical ingredient.
Specifications Synonyms
Benzylthiouracil | 6-Benzyl-2-thiouracil | Basdene | bentiuracil | PZ35LUM333 | NSC-39511 | NSC6508 | NSC-6508 | 6-benzyl-2-thioxo-2, 3-dihydropyrimidin-4(1H)-one | 6-benzyl-2-mercaptopyrimidin-4(3H)-one | 6-benzyl-2-sulfanylidene-1H-pyrimidin-4-one
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Benzylthiouracil is an active pharmaceutical ingredient against hyperthyroidism.
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties Names and Identifiers Pubchem Sid 528763563 Canonical Smiles C1=CC=C(C=C1)CC2=CC(=O)NC(=S)N2 IUPAC Name 6-benzyl-2-sulfanylidene-1H-pyrimidin-4-one InChIKey PNXBXCRWXNESOV-UHFFFAOYSA-N INCHI 1S/C11H10N2OS/c14-10-7-9(12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15) Isomeric SMILES C1=CC=C(C=C1)CC2=CC(=O)NC(=S)N2 PubChem CID 685814 Molecular Weight 218.28
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 Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Pyrimidones Alternative Parents Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO : 200 mg/mL (916.30 mM; Need ultrasonic and warming) Molecular Weight 218.280 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 218.051 Da Monoisotopic Mass 218.051 Da Topological Polar Surface Area 73.200 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 306.000 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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