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· · COA & SDS available for every product · Same-day shipping on in-stock items Ticolubant , CAS No.154413-61-3
Synonyms
TICOLUBANT | SB-209247 | C1FRU4800P | 2-Propenoic acid, 3-(6(((2,6-dichlorophenyl)thio)methyl)-3-(2-phenylethoxy)-2-pyridinyl)-, (E)- | Ticolubant [USAN:INN] | UNII-C1FRU4800P | (E)-6-(((2,6-Dichlorophenyl)thio)methyl)-3-(phenethyloxy)-2-pyridineacrylic a
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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
TICOLUBANT | SB-209247 | C1FRU4800P | 2-Propenoic acid, 3-(6(((2, 6-dichlorophenyl)thio)methyl)-3-(2-phenylethoxy)-2-pyridinyl)-, (E)- | Ticolubant [USAN:INN] | UNII-C1FRU4800P | (E)-6-(((2, 6-Dichlorophenyl)thio)methyl)-3-(phenethyloxy)-2-pyridineacrylic a
Product Properties Names and Identifiers Canonical Smiles C1=CC=C(C=C1)CCOC2=C(N=C(C=C2)CSC3=C(C=CC=C3Cl)Cl)C=CC(=O)O IUPAC Name (E)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-(2-phenylethoxy)pyridin-2-yl]prop-2-enoic acid InChIKey ZJLFOOWTDISDIO-ZRDIBKRKSA-N INCHI 1S/C23H19Cl2NO3S/c24-18-7-4-8-19(25)23(18)30-15-17-9-11-21(20(26-17)10-12-22(27)28)29-14-13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,27,28)/b12-10+ Isomeric SMILES C1=CC=C(C=C1)CCOC2=C(N=C(C=C2)CSC3=C(C=CC=C3Cl)Cl)/C=C/C(=O)O PubChem CID 6441619 Molecular Weight 460.4
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 Benzenoids Class Benzene and substituted derivatives Subclass Halobenzenes Intermediate Tree Nodes Chlorobenzenes Direct Parent Dichlorobenzenes Alternative Parents Thiophenol ethers Alkyl aryl ethers Alkylarylthioethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Aryl thioether - 1,3-dichlorobenzene - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Thioether - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 460.400 g/mol XLogP3 6.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 9 Exact Mass 459.046 Da Monoisotopic Mass 459.046 Da Topological Polar Surface Area 84.700 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 549.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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