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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque 6-Ethynyl-4,4-dimethylthiochroman - ≥98% , CAS No.118292-06-1
Disponível para encomenda
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
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504765753
Sorrisos canónicos
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
SMILES isoméricas
CC1(CCSC2=C1C=C(C=C2)C#C)C
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 Classe 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 Descrição 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.
Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e 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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