≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COCCCN1C(=O)C2=C(NC1=S)SC3=C2CCCS3 |
|---|---|
| IUPAC Name | 4-(3-methoxypropyl)-5-sulfanylidene-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one |
| InChIKey | DRSMBNVOEVCLIT-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N2O2S3/c1-17-6-3-5-15-11(16)9-8-4-2-7-19-12(8)20-10(9)14-13(15)18/h2-7H2,1H3,(H,14,18) |
| Molecular Weight | 328.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | 2-Thiopyrimidines Alkylarylthioethers Pyrimidinethiones Pyrimidones Thiopyrans Vinylogous amides Heteroaromatic compounds Thiophenes Lactams Thioureas Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - Aryl thioether - Pyrimidone - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Alkylarylthioether - Thiopyran - Pyrimidine - Thiophene - Heteroaromatic compound - Vinylogous amide - Thiourea - Lactam - Dialkyl ether - Ether - Thioether - 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 | 328.500 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 328.037 Da |
| Monoisotopic Mass | 328.037 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| 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 |
![4-(3-Methoxypropyl)-5-sulfanyl-8,10-dithia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one - ≥95% , CAS No.793716-06-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)