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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 5-Methyl-2,3-dihydro-1,3-benzoxazole-2-thione - ≥97% , CAS No.22876-22-8
Synonyms
5-METHYL-BENZOOXAZOLE-2-THIOL | Z56864608 | AKOS005173574 | EN300-77013 | MFCD00052492 | SSWZUOXLFTXIEZ-UHFFFAOYSA-N | 5-methyl-3H-1,3-benzoxazole-2-thione | 5-methyl-1,3-benzoxazole-2-thiol | FT-0620604 | 5-METHYLBENZO[D]OXAZOLE-2-THIOL | FK-0705 | 5-Met
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Why this grade ≥97% 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
5-METHYL-BENZOOXAZOLE-2-THIOL | Z56864608 | AKOS005173574 | EN300-77013 | MFCD00052492 | SSWZUOXLFTXIEZ-UHFFFAOYSA-N | 5-methyl-3H-1, 3-benzoxazole-2-thione | 5-methyl-1, 3-benzoxazole-2-thiol | FT-0620604 | 5-METHYLBENZO[D]OXAZOLE-2-THIOL | FK-0705 | 5-Met
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC1=CC2=C(C=C1)OC(=S)N2 IUPAC Name 5-methyl-3H-1,3-benzoxazole-2-thione InChIKey SSWZUOXLFTXIEZ-UHFFFAOYSA-N INCHI 1S/C8H7NOS/c1-5-2-3-7-6(4-5)9-8(11)10-7/h2-4H,1H3,(H,9,11) Isómeros SMILES CC1=CC2=C(C=C1)OC(=S)N2 Peso molecular 165.22 Reaxy-Rn 128393 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128393&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 Benzoxazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazoles Alternative Parents Benzenoids Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazole - Benzenoid - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 223-225°C Peso molecular 165.210 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 165.025 Da Monoisotopic Mass 165.025 Da Topological Polar Surface Area 53.400 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 183.000 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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