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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-(Benzylthio)-1H-tetrazole - ≥98.5% , CAS No.21871-47-6
Synonyms
FT-0638158 | A815721 | 5-(Benzylthio)tetrazole | 5-(Benzylthio)-1H-tetrazole, >=99.0% (HPLC) | NSC 282041 | 5-Benzylthio-1H- Tetrazole | NSC-282041 | 5-(Benzylthio)-1H-tetrazole | AKOS015888142 | MFCD00068731 | DTXSID60314332 | AC-8309 | J-670011 | 2-BUTO
Storage
Room temperature,Cool
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Why this grade ≥98.5% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Cool 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.
Overview Activator for DNA synthesis; superior alternative to tetrazole
Specifications Synonyms
FT-0638158 | A815721 | 5-(Benzylthio)tetrazole | 5-(Benzylthio)-1H-tetrazole, >=99.0% (HPLC) | NSC 282041 | 5-Benzylthio-1H- Tetrazole | NSC-282041 | 5-(Benzylthio)-1H-tetrazole | AKOS015888142 | MFCD00068731 | DTXSID60314332 | AC-8309 | J-670011 | 2-BUTO
Specifications & Purity
≥98.5%
Storage
Room temperature, Cool
Names and Identifiers Canonical Smiles C1=CC=C(C=C1)CSC2=NNN=N2 IUPAC Name 5-benzylsulfanyl-2H-tetrazole InChIKey GXGKKIPUFAHZIZ-UHFFFAOYSA-N INCHI 1S/C8H8N4S/c1-2-4-7(5-3-1)6-13-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12) Isomeric SMILES C1=CC=C(C=C1)CSC2=NNN=N2 WGK Germany 3 Molecular Weight 192.24 Beilstein 26(3/4)1964 Reaxy-Rn 8975295 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8975295&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 Organosulfur compounds Class Thioethers Subclass Aryl thioethers Intermediate Tree Nodes Not available Direct Parent Aryl thioethers Alternative Parents Alkylarylthioethers Benzene and substituted derivatives Tetrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl thioether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tetrazole - Azole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Insoluble in water; Soluble in Methanol Flash Point(°C) 2°C Melt Point(°C) 135-138°C Molecular Weight 192.240 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 192.047 Da Monoisotopic Mass 192.047 Da Topological Polar Surface Area 79.800 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 149.000 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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