![(E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one structure](/static/products/848/848747-20-6.webp)
(E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
TL;DR: (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one (CAS 848747-20-6) is a chemical compound with molecular formula C22H23N5O2S2 and molecular weight 453.1293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6E)-6-[[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Technical Specifications
| Molecular Formula | C22H23N5O2S2 |
| Molecular Weight | 453.1293 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.1293 Da |
| Heavy Atoms | 31 |
| Complexity | 819.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)SCC)C |
| InChIKey | NRILIDQFDCYABA-VKGGKSIRSA-N |
Chemical Property Profile of (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
Property Insights of (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
The XLogP value of 5.1 indicates that (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one. Following Lipinski's Rule of Five, (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The CAS number of (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 848747-20-6.
What is the molecular formula of (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular formula of (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is C22H23N5O2S2.
What is the molecular weight of (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
The molecular weight of (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one is 453.1293 g/mol.
Where can I buy (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
You can request a quote for (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one?
Yes, CoreyChem provides custom synthesis services for (E)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(ethylthio)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.