≥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.
| Canonical Smiles | C(CC(=O)O)C1=NNC(=S)N(C1=O)N |
|---|---|
| IUPAC Name | 3-(4-amino-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid |
| InChIKey | UDRLQUBSFWAFSO-UHFFFAOYSA-N |
| INCHI | 1S/C6H8N4O3S/c7-10-5(13)3(1-2-4(11)12)8-9-6(10)14/h1-2,7H2,(H,9,14)(H,11,12) |
| Isomeric SMILES | C(CC(=O)O)C1=NNC(=S)N(C1=O)N |
| PubChem CID | 1274346 |
| Molecular Weight | 216.22 |
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 | Triazines |
| Subclass | Triazinethiones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazinethiones |
| Alternative Parents | 1,2,4-triazines Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Triazinethione - 1,2,4-triazine - Heteroaromatic compound - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 216.220 g/mol |
|---|---|
| XLogP3 | -2.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 216.032 Da |
| Monoisotopic Mass | 216.032 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 327.000 |
| 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 |
