≥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.
| Canonical Smiles | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)CC4CCCO4 |
|---|---|
| IUPAC Name | 3-(oxolan-2-ylmethyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| InChIKey | BQTGCYKYZJCORG-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N2O2S2/c18-14-12-10-5-1-2-6-11(10)21-13(12)16-15(20)17(14)8-9-4-3-7-19-9/h9H,1-8H2,(H,16,20) |
| Molecular Weight | 322.5 |
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 | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Thiophenes Oxolanes Heteroaromatic compounds Thioureas Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidone - Pyrimidinethione - Pyrimidine - Oxolane - Heteroaromatic compound - Vinylogous amide - Thiophene - Lactam - Thiourea - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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 |
| Molecular Weight | 322.500 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 322.081 Da |
| Monoisotopic Mass | 322.081 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 459.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-mercapto-3-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one - ≥98% , CAS No.588696-92-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)