5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione
TL;DR: 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione (CAS 157526-36-8) is a chemical compound with molecular formula C11H7ClN2O2S and molecular weight 265.99167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: NCIOpen2_006180, 5-(2-CHLORO-BENZYLIDENE)-2-THIOXO-DIHYDRO-PYRIMIDINE-4,6-DIONE, 5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(2-chlorobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Technical Specifications
| Molecular Formula | C11H7ClN2O2S |
| Molecular Weight | 265.99167 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.99167 Da |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
| SMILES | C1=CC=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)Cl |
| InChIKey | UPCSQPPOKLACGA-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione
Property Insights of 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione. Following Lipinski's Rule of Five, 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
The CAS number of 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione is 157526-36-8.
What is the molecular formula of 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
The molecular formula of 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione is C11H7ClN2O2S.
What is the molecular weight of 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
The molecular weight of 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione is 265.99167 g/mol.
Where can I buy 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
You can request a quote for 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione?
Yes, CoreyChem provides custom synthesis services for 5-(2-Chloro-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.