≥97% 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.
| Sonrisas canónicas | C1=CC(=CC=C1NC2=NNC(=S)S2)F |
|---|---|
| IUPAC Name | 5-(4-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione |
| InChIKey | WIIOPIYGNZKALU-UHFFFAOYSA-N |
| INCHI | 1S/C8H6FN3S2/c9-5-1-3-6(4-2-5)10-7-11-12-8(13)14-7/h1-4H,(H,10,11)(H,12,13) |
| Isómeros SMILES | C1=CC(=CC=C1NC2=NNC(=S)S2)F |
| CAS alternativo | 14731-24-9 |
| PubChem CID | 2818752 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Fluorobenzenes Aryl fluorides 2-amino-1,3,4-thiadiazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aniline or substituted anilines - Fluorobenzene - Halobenzene - 2-amino-1,3,4-thiadiazole - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Thiadiazole - Azacycle - Secondary amine - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
| Peso molecular | 227.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 226.999 Da |
| Monoisotopic Mass | 226.999 Da |
| Topological Polar Surface Area | 93.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 261.000 |
| 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-[(4-Fluorophenyl)amino]-1,3,4-thiadiazole-2-thiol - ≥97% , CAS No.14731-24-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)