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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(2-(Phenylthio)ethyl)pyridine , CAS No.5104-00-7
Synonyms
4-(2-(phenylthio)ethyl)pyridine | 4-[2-(phenylsulfanyl)ethyl]pyridine | NSC17776 | NSC-17776 | NCIStruc1_000561 | NCIStruc2_000331 | CBDivE_000379 | CBDivE_000413 | MLS000554882 | DTXSID00965327 | HMS2287H13 | 2-(4-pyridyl)ethyl phenyl sulfide | NCI17776
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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
4-(2-(phenylthio)ethyl)pyridine | 4-[2-(phenylsulfanyl)ethyl]pyridine | NSC17776 | NSC-17776 | NCIStruc1_000561 | NCIStruc2_000331 | CBDivE_000379 | CBDivE_000413 | MLS000554882 | DTXSID00965327 | HMS2287H13 | 2-(4-pyridyl)ethyl phenyl sulfide | NCI17776
Product Properties Names and Identifiers Canonical Smiles C1=CC=C(C=C1)SCCC2=CC=NC=C2 IUPAC Name 4-(2-phenylsulfanylethyl)pyridine InChIKey XFLNVXUSNWPNOC-UHFFFAOYSA-N INCHI 1S/C13H13NS/c1-2-4-13(5-3-1)15-11-8-12-6-9-14-10-7-12/h1-7,9-10H,8,11H2 Isomeric SMILES C1=CC=C(C=C1)SCCC2=CC=NC=C2 Molecular Weight 215.32 Reaxy-Rn 1529587 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1529587&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 Thiophenol ethers Alkylarylthioethers Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 215.320 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 215.077 Da Monoisotopic Mass 215.077 Da Topological Polar Surface Area 38.200 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 160.000 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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