≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| ALogP | 1.629 |
|---|---|
| hba_count | 2 |
| Pubchem Sid | 488191478 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191478 |
| Canonical Smiles | CC1=CC(=[N+]2C(=N1)SC(=N2)[S-])C |
| IUPAC Name | 5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate |
| InChIKey | JQJIIAGVULRAON-UHFFFAOYSA-N |
| INCHI | 1S/C7H7N3S2/c1-4-3-5(2)10-6(8-4)12-7(11)9-10/h3H,1-2H3 |
| Isomeric SMILES | CC1=CC(=[N+]2C(=N1)SC(=N2)[S-])C |
| Molecular Weight | 197.28 |
| Reaxy-Rn | 4451113 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4451113&ln= |
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 | Pyrimidines and pyrimidine derivatives |
| Alternative Parents | Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrimidine - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms. |
| 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 |
|---|---|---|---|
 E2330338 | Certificate of Analysis | Mar 11, 2026 | C416706 |
| E2330339 | Certificate of Analysis | Mar 11, 2026 | C416706 |
| E2330342 | Certificate of Analysis | Mar 11, 2026 | C416706 |
| E2330344 | Certificate of Analysis | Mar 11, 2026 | C416706 |
| E2330600 | Certificate of Analysis | Mar 11, 2026 | C416706 |
| E2330612 | Certificate of Analysis | Mar 11, 2026 | C416706 |
| J2522063 | Certificate of Analysis | Apr 15, 2023 | C416706 |
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 197.300 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 197.008 Da |
| Monoisotopic Mass | 197.008 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 178.000 |
| 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 |
