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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(Benzylsulfanyl)-1H-1,2,4-Triazol-5-Ylamine - ≥95% , CAS No.3922-47-2
Synonyms
IDI1_018193 | F70044 | EN300-02624 | 5-amino-3-benzylthio-1H-1,2,4-triazole | AKOS002681505 | FT-0680002 | SCHEMBL3274558 | 5-Amino-3-benzylthio-1,2,4-triazole | 3-amino-5 -benzylthio-1,2,4-triazole | CCG-254545 | STK508707 | 5-Benzylsulfanyl-2H-[1,2,4]tr
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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 Sinónimos
IDI1_018193 | F70044 | EN300-02624 | 5-amino-3-benzylthio-1H-1, 2, 4-triazole | AKOS002681505 | FT-0680002 | SCHEMBL3274558 | 5-Amino-3-benzylthio-1, 2, 4-triazole | 3-amino-5 -benzylthio-1, 2, 4-triazole | CCG-254545 | STK508707 | 5-Benzylsulfanyl-2H-[1, 2, 4]tr
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488191395 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191395 Sonrisas canónicas C1=CC=C(C=C1)CSC2=NNC(=N2)N IUPAC Name 3-benzylsulfanyl-1H-1,2,4-triazol-5-amine InChIKey NQJATJCXKYZVEL-UHFFFAOYSA-N INCHI 1S/C9H10N4S/c10-8-11-9(13-12-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,10,11,12,13) Isómeros SMILES C1=CC=C(C=C1)CSC2=NNC(=N2)N Peso molecular 206.27 Reaxy-Rn 4421947 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4421947&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 Clase Thioethers Subclass Aryl thioethers Intermediate Tree Nodes Not available Direct Parent Aryl thioethers Alternative Parents Alkylarylthioethers Benzene and substituted derivatives Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - 1,2,4-triazole - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound Descripción 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 96-98° Peso molecular 206.270 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 206.063 Da Monoisotopic Mass 206.063 Da Topological Polar Surface Area 92.900 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 172.000 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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