≥98% 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 | C1N=C(NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 3-(4-nitrophenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione |
| InChIKey | JGJUTKOIDKWNMM-UHFFFAOYSA-N |
| INCHI | 1S/C15H12N4O2S/c20-19(21)13-8-6-12(7-9-13)18-10-16-14(17-15(18)22)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,22) |
| Peso molecular | 312.3 |
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 | N-phenylthioureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylthioureas |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds 1,3,5-triazines Thioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-phenylthiourea - Nitrobenzene - Nitroaromatic compound - Triazine - 1,3,5-triazine - C-nitro compound - Thiourea - Organic nitro compound - Amidine - Carboxylic acid amidine - Organic oxoazanium - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group. |
| External Descriptors | Not available |
| Peso molecular | 312.300 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 312.068 Da |
| Monoisotopic Mass | 312.068 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 463.000 |
| 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 |
