≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=CC=CC(=C1)NC2=NN=C(S2)SCC(=O)O |
|---|---|
| IUPAC Name | 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid |
| InChIKey | JCBULGDIJYFRNL-UHFFFAOYSA-N |
| INCHI | 1S/C11H11N3O3S2/c1-17-8-4-2-3-7(5-8)12-10-13-14-11(19-10)18-6-9(15)16/h2-5H,6H2,1H3,(H,12,13)(H,15,16) |
| Peso molecular | 297.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methoxyanilines |
| Alternative Parents | Phenoxy compounds Anisoles Methoxybenzenes 2-amino-5-substituted-1,3,4-thiadiazoles Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Amino acids Sulfenyl compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Secondary amines Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methoxyaniline - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - 2-amino-1,3,4-thiadiazole - Heteroaromatic compound - Azole - Thiadiazole - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group. |
| External Descriptors | Not available |
| Peso molecular | 297.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 297.024 Da |
| Monoisotopic Mass | 297.024 Da |
| Topological Polar Surface Area | 138.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| 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 |
![({5-[(3-Methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}thio)acetic acid - ≥97% , CAS No.68161-40-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)