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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 6-Ethynyl-4,4-dimethylthiochroman - ≥98% , CAS No.118292-06-1
Synonyms
(4,4-dimethyl-thiochroman-6-yl)ethyne | (4,4-dimethylthiochroman-6-yl)ethyne | 6-ethynyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran | MFCD08275583 | 4.4-Dimethyl-6-ethynylthiochroman | 6-ethynyl-4,4-dimethyl-2,3-dihydrothiochromene | Benzimidazole, 2-amino
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Why this grade ≥98% 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
(4, 4-dimethyl-thiochroman-6-yl)ethyne | (4, 4-dimethylthiochroman-6-yl)ethyne | 6-ethynyl-4, 4-dimethyl-2, 3-dihydro-1-benzothiopyran | MFCD08275583 | 4.4-Dimethyl-6-ethynylthiochroman | 6-ethynyl-4, 4-dimethyl-2, 3-dihydrothiochromene | Benzimidazole, 2-amino
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504765753 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504765753 Sonrisas canónicas CC1(CCSC2=C1C=C(C=C2)C#C)C IUPAC Name 6-ethynyl-4,4-dimethyl-2,3-dihydrothiochromene InChIKey KVHNVHGCQWNGLG-UHFFFAOYSA-N INCHI 1S/C13H14S/c1-4-10-5-6-12-11(9-10)13(2,3)7-8-14-12/h1,5-6,9H,7-8H2,2-3H3 Isómeros SMILES CC1(CCSC2=C1C=C(C=C2)C#C)C Peso molecular 202.32 Reaxy-Rn 11735771 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11735771&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 Organoheterocyclic compounds Clase Thiochromanes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thiochromanes Alternative Parents 1-benzothiopyrans Alkylarylthioethers Thiopyrans Benzenoids Acetylides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Alkylarylthioether - Benzenoid - Thiopyran - Acetylide - Thioether - Hydrocarbon derivative - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as thiochromanes. These are organic heterocyclic compounds containing a thiochromane moiety. 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 Peso molecular 202.320 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 202.082 Da Monoisotopic Mass 202.082 Da Topological Polar Surface Area 25.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 258.000 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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