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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(phenylsulfanyl)bicyclo[1.1.1]pentane - ≥97% , CAS No.98585-81-0
Synonyms
bicyclo[1.1.1]pentan-1-yl(phenyl)sulfane | AB91305 | 1-(PHENYLSULFANYL)BICYCLO[1.1.1]PENTANE | 1-phenylsulfanylbicyclo[1.1.1]pentane | SY324241 | doi:10.14272/AXGWEHWIGICNLX-UHFFFAOYSA-N.2 | MFCD27996127 | E88522 | doi:10.14272/AXGWEHWIGICNLX-UHFFFAOYSA-N
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Why this grade ≥97% 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
bicyclo[1.1.1]pentan-1-yl(phenyl)sulfane | AB91305 | 1-(PHENYLSULFANYL)BICYCLO[1.1.1]PENTANE | 1-phenylsulfanylbicyclo[1.1.1]pentane | SY324241 | doi:10.14272/AXGWEHWIGICNLX-UHFFFAOYSA-N.2 | MFCD27996127 | E88522 | doi:10.14272/AXGWEHWIGICNLX-UHFFFAOYSA-N
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1C2CC1(C2)SC3=CC=CC=C3 IUPAC Name 1-phenylsulfanylbicyclo[1.1.1]pentane InChIKey AXGWEHWIGICNLX-UHFFFAOYSA-N INCHI 1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2 Isomeric SMILES C1C2CC1(C2)SC3=CC=CC=C3 Alternate CAS 98585-81-0 PubChem CID 11309833 Molecular Weight 176.28
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 Benzene and substituted derivatives Sulfenyl compounds Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Hydrocarbon derivative - Aromatic homopolycyclic 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 Molecular Weight 176.280 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 Exact Mass 176.066 Da Monoisotopic Mass 176.066 Da Topological Polar Surface Area 25.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 164.000 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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