![2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione structure](/static/products/866/866726-96-7.webp)
2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione
TL;DR: 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione (CAS 866726-96-7) is a chemical compound with molecular formula C18H14N2OS and molecular weight 306.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylphenyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione
Also Known As: 2-(4-methylphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione, 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione, F1604-0461, 2-(4-methylphenyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione
Technical Specifications
| Molecular Formula | C18H14N2OS |
| Molecular Weight | 306.08267 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.08267 Da |
| Heavy Atoms | 22 |
| Complexity | 531.0 |
| SMILES | CC1=CC=C(C=C1)C2=NC(=S)C3=C(N2)OC4=CC=CC=C4C3 |
| InChIKey | YXKAVURRSRAOIB-UHFFFAOYSA-N |
Chemical Property Profile of 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione
Property Insights of 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione
The XLogP value of 3.6 indicates that 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione. Following Lipinski's Rule of Five, 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione?
The CAS number of 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione is 866726-96-7.
What is the molecular formula of 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione?
The molecular formula of 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione is C18H14N2OS.
What is the molecular weight of 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione?
The molecular weight of 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione is 306.08267 g/mol.
Where can I buy 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione?
You can request a quote for 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione?
Yes, CoreyChem provides custom synthesis services for 2-(p-tolyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.