≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F |
|---|---|
| IUPAC Name | 3-(3-morpholin-4-ylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione |
| InChIKey | ZINLRSJYDPEMAJ-UHFFFAOYSA-N |
| INCHI | 1S/C19H17F3N4O3S2/c20-19(21,22)14-4-2-5-15(12-14)26-17(23-24-18(26)30)13-3-1-6-16(11-13)31(27,28)25-7-9-29-10-8-25/h1-6,11-12H,7-10H2,(H,24,30) |
| Molecular Weight | 470.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Trifluoromethylbenzenes Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Morpholines Triazolines Sulfonyls Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Dialkyl ethers Organonitrogen compounds Alkyl fluorides Organopnictogen compounds Hydrocarbon derivatives Organofluorides Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Benzenesulfonamide - Trifluoromethylbenzene - Benzenesulfonyl group - Monocyclic benzene moiety - Morpholine - Oxazinane - Organosulfonic acid amide - Benzenoid - Triazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 470.500 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 470.069 Da |
| Monoisotopic Mass | 470.069 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 809.000 |
| 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-(morpholine-4-sulfonyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol - ≥95% , CAS No.380436-79-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)