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technical grade, ≥90% Technical grade 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(=C(NC(=S)NC1=S)N)N |
|---|---|
| IUPAC Name | 5,6-diamino-1H-pyrimidine-2,4-dithione |
| InChIKey | IQGYCVKWCYGVBK-UHFFFAOYSA-N |
| INCHI | 1S/C4H6N4S2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10) |
| Isómeros SMILES | C1(=C(NC(=S)NC1=S)N)N |
| WGK Alemania | 3 |
| Peso molecular | 174.25 |
| Reaxy-Rn | 132064 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132064&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidinethiones |
| Alternative Parents | Aminopyrimidines and derivatives 2-Thiopyrimidines Hydropyrimidines Thiolactams Heteroaromatic compounds Thioureas Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Hydropyrimidine - Heteroaromatic compound - Thiolactam - Thiourea - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrimidinethiones. These are compounds containing a pyrimidine ring that bears a thioketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Punto de fusión (°C) | >300 °C |
|---|---|
| Peso molecular | 174.300 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 174.003 Da |
| Monoisotopic Mass | 174.003 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |
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