≥95% 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.
| Canonical Smiles | C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CO3 |
|---|---|
| IUPAC Name | 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid |
| InChIKey | KGAMZALMAUKYRZ-UHFFFAOYSA-N |
| INCHI | 1S/C14H17N3O3S/c18-12(19)9-21-14-16-15-13(11-7-4-8-20-11)17(14)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,18,19) |
| Isomeric SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CO3 |
| PubChem CID | 767243 |
| Molecular Weight | 307.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Alkylarylthioethers Triazoles Heteroaromatic compounds Furans Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Alkylarylthioether - Azole - Furan - 1,2,4-triazole - Heteroaromatic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 307.370 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 307.099 Da |
| Monoisotopic Mass | 307.099 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 |
![(4-Cyclohexyl-5-furan-2-yl-4h-[1,2,4]triazol-3-yl-sulfanyl)acetic acid - ≥95% , CAS No.337487-27-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)