5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
TL;DR: 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione (CAS 77-32-7) is a chemical compound with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Thiobarbital, Sedothyron, Ibition, Thyreosedine, Certodorm
| Molecular Formula | C8H12N2O2S |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.06195 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 77-32-7 |
|---|---|
| SMILES | CCC1(C(=O)NC(=S)NC1=O)CC |
| InChIKey | QGVNJRROSLYGKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione (CAS 77-32-7), with molecular formula C8H12N2O2S and molecular weight 200.06 g/mol. IUPAC: 5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
Property Insights of 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione. Following Lipinski's Rule of Five, 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione 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
Frequently Asked Questions
What is the CAS number of 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
The CAS number of 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione is 77-32-7.
What is the molecular formula of 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione is C8H12N2O2S.
What is the molecular weight of 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione is 200.06 g/mol.
Where can I buy 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.