≥95% 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 | CC1=C(C2=C(S1)NC(=S)N(C2=O)CC=C)C3=CC=C(C=C3)F |
|---|---|
| IUPAC Name | 5-(4-fluorophenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one |
| InChIKey | AZDHSNJREIEDDP-UHFFFAOYSA-N |
| INCHI | 1S/C16H13FN2OS2/c1-3-8-19-15(20)13-12(10-4-6-11(17)7-5-10)9(2)22-14(13)18-16(19)21/h3-7H,1,8H2,2H3,(H,18,21) |
| Molecular Weight | 332.4 |
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 | 2-Thiopyrimidines Fluorobenzenes Pyrimidones Pyrimidinethiones Aryl fluorides Vinylogous amides Thiophenes Heteroaromatic compounds Lactams Thioureas Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Fluorobenzene - Halobenzene - Pyrimidinethione - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Lactam - Thiourea - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen 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 | 332.400 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 332.045 Da |
| Monoisotopic Mass | 332.045 Da |
| Topological Polar Surface Area | 92.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| 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 |
![5-(4-fluorophenyl)-6-methyl-3-(prop-2-en-1-yl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one - ≥95% , CAS No.379239-35-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)