The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
· · COA & SDS available for every product · Same-day shipping on in-stock items 4-[(1,3-Benzoxazol-2-ylsulfanyl)methyl]benzoic acid , CAS No.B668317
Synonyms
4-[(1,3-Benzoxazol-2-ylsulfanyl)methyl]benzoic acid | SMR000024981 | Cambridge id 6953089 | Oprea1_144953 | 4-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid | MLS000090371 | XCKAGLDDLJTRBV-UHFFFAOYSA-N | HMS2184F18 | STK523491 | AKOS000148109 | 4-(Benzooxa
🧪
Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
🌡
Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
📋
Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
📚
Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4-[(1, 3-Benzoxazol-2-ylsulfanyl)methyl]benzoic acid | SMR000024981 | Cambridge id 6953089 | Oprea1_144953 | 4-[(1, 3-benzoxazol-2-ylthio)methyl]benzoic acid | MLS000090371 | XCKAGLDDLJTRBV-UHFFFAOYSA-N | HMS2184F18 | STK523491 | AKOS000148109 | 4-(Benzooxa
Product Properties Names and Identifiers Canonical Smiles C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)C(=O)O IUPAC Name 4-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid InChIKey XCKAGLDDLJTRBV-UHFFFAOYSA-N INCHI 1S/C15H11NO3S/c17-14(18)11-7-5-10(6-8-11)9-20-15-16-12-3-1-2-4-13(12)19-15/h1-8H,9H2,(H,17,18) Isomeric SMILES C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)C(=O)O PubChem CID 585642 Molecular Weight 285.3
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 Benzoxazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazoles Alternative Parents Benzoic acids Benzoyl derivatives Alkylarylthioethers Oxazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoic acid or derivatives - Benzoic acid - Benzoxazole - Aryl thioether - Benzoyl - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description 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.
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 285.300 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 285.046 Da Monoisotopic Mass 285.046 Da Topological Polar Surface Area 88.600 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 344.000 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
Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator Reviews
We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our
Cookie Policy. Settings Agree All Decline
Shall we send you a message when we have discounts available?
Remind me later Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.
![4-[(1,3-Benzoxazol-2-ylsulfanyl)methyl]benzoic acid - CAS No(B668317) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/6/B668317.jpg)