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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Methoxybenzo[d]thiazol-2(3H)-one - ≥95% , CAS No.80567-66-4
Synonyms
AC-31696 | 4-methoxy-1,3-benzothiazol-2(3H)-one | BOKIESUSRKISCV-UHFFFAOYSA-N | MFCD09748564 | 2-hydroxy-4-methoxybenzothiazole, AldrichCPR | A839950 | DS-1116 | FS-3156 | 4-methoxy-3H-1,3-benzothiazol-2-one | 4-methoxy-3H-1,3-benzothiazol-2-one;4-Methoxy
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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 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
AC-31696 | 4-methoxy-1, 3-benzothiazol-2(3H)-one | BOKIESUSRKISCV-UHFFFAOYSA-N | MFCD09748564 | 2-hydroxy-4-methoxybenzothiazole, AldrichCPR | A839950 | DS-1116 | FS-3156 | 4-methoxy-3H-1, 3-benzothiazol-2-one | 4-methoxy-3H-1, 3-benzothiazol-2-one;4-Methoxy
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
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 COC1=C2C(=CC=C1)SC(=O)N2 IUPAC Name 4-methoxy-3H-1,3-benzothiazol-2-one InChIKey BOKIESUSRKISCV-UHFFFAOYSA-N INCHI 1S/C8H7NO2S/c1-11-5-3-2-4-6-7(5)9-8(10)12-6/h2-4H,1H3,(H,9,10) Isómeros SMILES COC1=C2C(=CC=C1)SC(=O)N2 Peso molecular 181.21 Reaxy-Rn 14247132 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14247132&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 Benzothiazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazoles Alternative Parents Anisoles Alkyl aryl ethers Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,3-benzothiazole - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one 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 Peso molecular 181.210 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 181.02 Da Monoisotopic Mass 181.02 Da Topological Polar Surface Area 63.600 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 197.000 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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