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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Isopropyl-5-Mercapto-4H-1,2,4-Triazol-3-Ol - ≥95% , CAS No.53065-47-7
Synonyms
REGID_FOR_CID_2743305 | 5-Hydroxy-4-isopropyl-3-sulphanyl-4H-1,2,4-triazole | SCHEMBL2551484 | 4-isopropyl-5-thioxo-1,2,4-triazolidin-3-one | AKOS025394735 | FT-0618825 | SMR000461244 | 4-propan-2-yl-5-sulfanylidene-1,2,4-triazolidin-3-one | 4-isopropyl-5
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Why this grade ≥95% 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
REGID_FOR_CID_2743305 | 5-Hydroxy-4-isopropyl-3-sulphanyl-4H-1, 2, 4-triazole | SCHEMBL2551484 | 4-isopropyl-5-thioxo-1, 2, 4-triazolidin-3-one | AKOS025394735 | FT-0618825 | SMR000461244 | 4-propan-2-yl-5-sulfanylidene-1, 2, 4-triazolidin-3-one | 4-isopropyl-5
Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles CC(C)N1C(=O)NNC1=S IUPAC Name 4-propan-2-yl-5-sulfanylidene-1,2,4-triazolidin-3-one InChIKey PHDLLTVRFGQCDQ-UHFFFAOYSA-N INCHI 1S/C5H9N3OS/c1-3(2)8-4(9)6-7-5(8)10/h3H,1-2H3,(H,6,9)(H,7,10) Isomeric SMILES CC(C)N1C(=O)NNC1=S Molecular Weight 159.21 Reaxy-Rn 130670 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=130670&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 Class Azoles Subclass Triazoles Intermediate Tree Nodes Not available Direct Parent Triazoles Alternative Parents Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms. 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 159.210 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 159.047 Da Monoisotopic Mass 159.047 Da Topological Polar Surface Area 76.500 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 180.000 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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