≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | CC(C)(C)C1=NNC(=S)N(C1=O)N |
|---|---|
| IUPAC Name | 4-amino-6-tert-butyl-3-sulfanylidene-2H-1,2,4-triazin-5-one |
| InChIKey | OFKAVNQBCRJBJE-UHFFFAOYSA-N |
| INCHI | 1S/C7H12N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13) |
| Isómeros SMILES | CC(C)(C)C1=NNC(=S)N(C1=O)N |
| Peso molecular | 200.26 |
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 |
| Clase | Triazines |
| Subclass | Triazinethiones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazinethiones |
| Alternative Parents | 1,2,4-triazines Heteroaromatic compounds Lactams Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triazinethione - 1,2,4-triazine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as triazinethiones. These are compounds containing a triazine ring which bears a thioketone group. |
| External Descriptors | Not available |
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| Sensibilidad | light sensitive |
|---|---|
| Punto de ebullición (°C) | 284.7±23.0 °C at 760 mmHg |
| Punto de fusión (°C) | 215 °C |
| Peso molecular | 200.260 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 200.073 Da |
| Monoisotopic Mass | 200.073 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 291.000 |
| 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 |
