Barbituric acid, 5-salicylidene-2-thio-
TL;DR: Barbituric acid, 5-salicylidene-2-thio- (CAS 114370-98-8) is a chemical compound with molecular formula C11H8N2O3S and molecular weight 248.02556 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Barbituric acid, 5-salicylidene-2-thio-, salicylidene thiobarbituric acid, 5-Salicylidenebis(2-thiobarbituric acid), SDCCGMLS-0064656.P001, J1.999.810J
Technical Specifications
| Molecular Formula | C11H8N2O3S |
| Molecular Weight | 248.02556 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.02556 Da |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
| SMILES | C1=CC=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)O |
| InChIKey | RGLBWQAEHZVAMS-UHFFFAOYSA-N |
Chemical Property Profile of Barbituric acid, 5-salicylidene-2-thio-
Property Insights of Barbituric acid, 5-salicylidene-2-thio-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barbituric acid, 5-salicylidene-2-thio-. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric acid, 5-salicylidene-2-thio-. Following Lipinski's Rule of Five, Barbituric acid, 5-salicylidene-2-thio- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Barbituric acid, 5-salicylidene-2-thio-?
The CAS number of Barbituric acid, 5-salicylidene-2-thio- is 114370-98-8.
What is the molecular formula of Barbituric acid, 5-salicylidene-2-thio-?
The molecular formula of Barbituric acid, 5-salicylidene-2-thio- is C11H8N2O3S.
What is the molecular weight of Barbituric acid, 5-salicylidene-2-thio-?
The molecular weight of Barbituric acid, 5-salicylidene-2-thio- is 248.02556 g/mol.
Where can I buy Barbituric acid, 5-salicylidene-2-thio-?
You can request a quote for Barbituric acid, 5-salicylidene-2-thio- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barbituric acid, 5-salicylidene-2-thio-?
Yes, CoreyChem provides custom synthesis services for Barbituric acid, 5-salicylidene-2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.