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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Phenyl-5,6,7,8-tetrahydro-benzo(E)(1,3)oxazine-4-thione , CAS No.P668493
Synonyms
2-phenyl-5,6,7,8-tetrahydro-4H-1,3-benzoxazine-4-thione | 2-Phenyl-5,6,7,8-tetrahydro-benzo[e][1,3]oxazine-4-thione | 2-PHENYL-5,6,7,8-TETRAHYDRO-BENZO(E)(1,3)OXAZINE-4-THIONE | MLS000527620 | ChemDiv3_000143 | ADESGXWSHWCJOO-UHFFFAOYSA-N | HMS1473G11 | H
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Synonyms
2-phenyl-5, 6, 7, 8-tetrahydro-4H-1, 3-benzoxazine-4-thione | 2-Phenyl-5, 6, 7, 8-tetrahydro-benzo[e][1, 3]oxazine-4-thione | 2-PHENYL-5, 6, 7, 8-TETRAHYDRO-BENZO(E)(1, 3)OXAZINE-4-THIONE | MLS000527620 | ChemDiv3_000143 | ADESGXWSHWCJOO-UHFFFAOYSA-N | HMS1473G11 | H
Product Properties Names and Identifiers Canonical Smiles C1CCC2=C(C1)C(=S)N=C(O2)C3=CC=CC=C3 IUPAC Name 2-phenyl-5,6,7,8-tetrahydro-1,3-benzoxazine-4-thione InChIKey ADESGXWSHWCJOO-UHFFFAOYSA-N INCHI 1S/C14H13NOS/c17-14-11-8-4-5-9-12(11)16-13(15-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2 Isomeric SMILES C1CCC2=C(C1)C(=S)N=C(O2)C3=CC=CC=C3 PubChem CID 759315 Molecular Weight 243.33
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 Class Benzoxazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazines Alternative Parents Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 243.330 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 243.072 Da Monoisotopic Mass 243.072 Da Topological Polar Surface Area 53.700 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 391.000 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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