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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items (1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane - ≥95% , CAS No.5718-75-2
Synonyms
A831340 | SCHEMBL18824826 | T72640 | (1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane | W-105483 | BS-44112 | DTXSID001214858 | AKOS015840338 | Isothiocineole
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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
A831340 | SCHEMBL18824826 | T72640 | (1R, 4R, 5R)-4, 7, 7-Trimethyl-6-thiabicyclo[3.2.1]octane | W-105483 | BS-44112 | DTXSID001214858 | AKOS015840338 | Isothiocineole
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas CC1CCC2CC1SC2(C)C IUPAC Name (1R,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane InChIKey FAXNZPOZWCWYBD-IWSPIJDZSA-N INCHI 1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1 Isómeros SMILES C[C@@H]1CC[C@@H]2C[C@H]1SC2(C)C PubChem CID 45275886 Peso molecular 170.31 Beilstein 17(4)212 Reaxy-Rn 80225
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 Clase Thiepanes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thiepanes Alternative Parents Thiolanes Dialkylthioethers Hydrocarbon derivatives Molecular Framework Aliphatic heteropolycyclic compounds Substituents Thiepane - Thiolane - Dialkylthioether - Thioether - Hydrocarbon derivative - Aliphatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as thiepanes. These are organic compounds containing a heptane ring in which one carbon atom is replaced by a sulfur atom. 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Índice de refracción 1.52 Rotación específica [α] -70° (C=1.32,CHCl3) Punto de inflamación (°C) 79 °C Punto de ebullición (°C) 84°C/5mmHg Peso molecular 170.320 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 170.113 Da Monoisotopic Mass 170.113 Da Topological Polar Surface Area 25.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 162.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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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