≥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.
| Sonrisas canónicas | C1=CC=C(C=C1)N2C(=NNC2=S)C3=C(C4=CC=CC=C4S3)Cl |
|---|---|
| IUPAC Name | 3-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione |
| InChIKey | OPMNWJPPCZDZHP-UHFFFAOYSA-N |
| INCHI | 1S/C16H10ClN3S2/c17-13-11-8-4-5-9-12(11)22-14(13)15-18-19-16(21)20(15)10-6-2-1-3-7-10/h1-9H,(H,19,21) |
| Peso molecular | 343.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | 1-benzothiophenes Benzene and substituted derivatives Aryl chlorides Triazolines Thiophenes Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - 1-benzothiophene - Benzothiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazoline - Thiophene - Heteroaromatic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 343.900 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 343 Da |
| Monoisotopic Mass | 343 Da |
| Topological Polar Surface Area | 88.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 478.000 |
| 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 |
