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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Hydroxy-1-thiocoumarin - ≥98% , CAS No.16854-67-4
Synonyms
MLS000104408 | SCHEMBL467777 | SR-01000389767 | 2H-1-Benzothiopyran-2-one, 4-hydroxy- | 2-Hydroxy-4H-1-benzothiopyran-4-one | AS-63180 | STL504699 | SR-01000389767-1 | 4-hydroxylthiocoumarin | HY-112732 | SCHEMBL55275 | SMR000054343 | AKOS003672551 | DTXS
Storage
Store at 2-8°C,Argon charged,Desiccated
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged,Desiccated 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
MLS000104408 | SCHEMBL467777 | SR-01000389767 | 2H-1-Benzothiopyran-2-one, 4-hydroxy- | 2-Hydroxy-4H-1-benzothiopyran-4-one | AS-63180 | STL504699 | SR-01000389767-1 | 4-hydroxylthiocoumarin | HY-112732 | SCHEMBL55275 | SMR000054343 | AKOS003672551 | DTXS
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged, Desiccated
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 C1=CC=C2C(=C1)C(=O)C=C(S2)O IUPAC Name 2-hydroxythiochromen-4-one InChIKey OSIDMAJZERBPOJ-UHFFFAOYSA-N INCHI 1S/C9H6O2S/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,11H Isómeros SMILES C1=CC=C2C(=C1)C(=O)C=C(S2)O Peso molecular 178.21 Reaxy-Rn 6386906 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6386906&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 Thiochromenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Thiochromenes Alternative Parents 1-benzothiopyrans Benzenoids Vinylogous acids Heteroaromatic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Thiochromene - 1-benzothiopyran - Benzothiopyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen 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 Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Moisture sensitive Punto de fusión (°C) 215 °C Peso molecular 178.210 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 0 Exact Mass 178.009 Da Monoisotopic Mass 178.009 Da Topological Polar Surface Area 62.600 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 235.000 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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