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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 5-Carboxy-2-thiouracil - ≥98% , CAS No.23945-50-8
Synonyms
4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid | 5-Carboxy-4-hydroxy-2-thiopyrimidine | 2-Thiouracil-5-carboxylic acid
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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.
概要 5-Carboxy-2-thiouracil may produce potential anti-bacterial and anti-tumor methylhydrazonium salts.
Specifications 同義語
4-Oxo-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid | 5-Carboxy-4-hydroxy-2-thiopyrimidine | 2-Thiouracil-5-carboxylic acid
入荷
Wet ice
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
名前と識別子 パブケム・シド 528762030 カノニカル・スマイル C1=C(C(=O)NC(=S)N1)C(=O)O IUPAC Name 4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid InChIKey XKHWTDCFQVKNHW-UHFFFAOYSA-N INCHI 1S/C5H4N2O3S/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) 異性体SMILES C1=C(C(=O)NC(=S)N1)C(=O)O WGKドイツ 3 分子量 172.16 Reaxy-Rn 142201 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142201&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 Organoheterocyclic compounds 分類 Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Pyrimidinecarboxylic acids and derivatives Direct Parent Pyrimidinecarboxylic acids Alternative Parents Hydropyrimidine carboxylic acids and derivatives Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Heteroaromatic compounds Thioureas Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Hydropyrimidine carboxylic acid derivative - Pyrimidine-5-carboxylic acid - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Carboxylic acid - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound 説明 This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. 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.
3 D構造 関連ターゲット（人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 溶解度 Soluble in water (partly), and 1M NaOH (50 mg/ml). 屈折率 n20D1.72 (Predicted) 沸点（°C） 447.97° C (Predicted) 融点（°C） 188.30° C (Predicted) 分子量 172.160 g/mol XLogP3 -0.100 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 171.994 Da Monoisotopic Mass 171.994 Da Topological Polar Surface Area 111.000 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 271.000 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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