≥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.
| Pubchem Sid | 488196625 |
|---|---|
| Canonical Smiles | COC1=CC(=NC(=S)N1)OC |
| IUPAC Name | 4,6-dimethoxy-1H-pyrimidine-2-thione |
| InChIKey | PCVRHOZHSQQRMC-UHFFFAOYSA-N |
| INCHI | 1S/C6H8N2O2S/c1-9-4-3-5(10-2)8-6(11)7-4/h3H,1-2H3,(H,7,8,11) |
| Isomeric SMILES | COC1=CC(=NC(=S)N1)OC |
| PubChem CID | 10313510 |
| Molecular Weight | 172.21 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidinethiones |
| Alternative Parents | Alkyl aryl ethers 2-Thiopyrimidines Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Alkyl aryl ether - Hydropyrimidine - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2306148 | Certificate of Analysis | Mar 31, 2026 | D345156 |
| H2506073 | Certificate of Analysis | Aug 11, 2025 | D345156 |
| J2217458 | Certificate of Analysis | Aug 07, 2025 | D345156 |
| J2217523 | Certificate of Analysis | Aug 07, 2025 | D345156 |
| C2526066 | Certificate of Analysis | Jun 27, 2022 | D345156 |
| J2217459 | Certificate of Analysis | Jun 27, 2022 | D345156 |
| Refractive Index | n20D1.58 (Predicted) |
|---|---|
| Boil Point(°C) | 250.92° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 114.41° C (Predicted) |
| Molecular Weight | 172.210 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 172.031 Da |
| Monoisotopic Mass | 172.031 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| 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 |
