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· · COA & SDS available for every product · Same-day shipping on in-stock items N-Benzoylthiourea - ≥98% , CAS No.614-23-3
Synonyms
1-Benzoyl-2-thiourea | Necacyl | NCGC00246837-01 | AKOS005207003 | Benzoylthiourea | benzoyl-thiourea | BRN 1942772 | 12K7CS1DAM | NSC5784 | NSC-5784 | NSC 5784 | N-(aminothioxomethyl)benzamide | N-Benzoylthiourea | MLS000736522 | benzoyl thiourea | HMS28
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Why this grade ≥98% 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
1-Benzoyl-2-thiourea | Necacyl | NCGC00246837-01 | AKOS005207003 | Benzoylthiourea | benzoyl-thiourea | BRN 1942772 | 12K7CS1DAM | NSC5784 | NSC-5784 | NSC 5784 | N-(aminothioxomethyl)benzamide | N-Benzoylthiourea | MLS000736522 | benzoyl thiourea | HMS28
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488192721 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488192721 Canonical Smiles C1=CC=C(C=C1)C(=O)NC(=S)N IUPAC Name N-carbamothioylbenzamide InChIKey DQMWMUMCNOJLSI-UHFFFAOYSA-N INCHI 1S/C8H8N2OS/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12) Isomeric SMILES C1=CC=C(C=C1)C(=O)NC(=S)N RTECS YS1450000 Molecular Weight 180.23 Beilstein 9(3)1120 Reaxy-Rn 1942772 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1942772&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acids and derivatives Alternative Parents Benzoyl derivatives Thioureas Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoic acid or derivatives - Benzoyl - Thiourea - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Insoluble in water Melt Point(°C) 173 °C Molecular Weight 180.230 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 180.036 Da Monoisotopic Mass 180.036 Da Topological Polar Surface Area 87.200 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 187.000 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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