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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol , CAS No.117320-61-3
Synonyms
5-(3-chlorophenyl)-4H-1,2,4-triazole-3-thiol | 5-(3-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione | ASISCHEM D51170 | MLS-0237172.0001 | 3-(3-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione | 5-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thi
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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
5-(3-chlorophenyl)-4H-1, 2, 4-triazole-3-thiol | 5-(3-chlorophenyl)-1, 2-dihydro-1, 2, 4-triazole-3-thione | ASISCHEM D51170 | MLS-0237172.0001 | 3-(3-chlorophenyl)-4, 5-dihydro-1H-1, 2, 4-triazole-5-thione | 5-(3-chlorophenyl)-2, 4-dihydro-3H-1, 2, 4-triazole-3-thi
Product Properties Names and Identifiers Canonical Smiles C1=CC(=CC(=C1)Cl)C2=NC(=S)NN2 IUPAC Name 5-(3-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione InChIKey NTQZVPQAJQHJLJ-UHFFFAOYSA-N INCHI 1S/C8H6ClN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13) Isomeric SMILES C1=CC(=CC(=C1)Cl)C2=NC(=S)NN2 PubChem CID 749987 Molecular Weight 211.67
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 Azoles Subclass Triazoles Intermediate Tree Nodes Phenyltriazoles Direct Parent Phenyl-1,2,4-triazoles Alternative Parents Chlorobenzenes Aryl chlorides Triazolines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenyl-1,2,4-triazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazoline - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl 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 211.670 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 210.997 Da Monoisotopic Mass 210.997 Da Topological Polar Surface Area 68.500 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 254.000 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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