5-Vanillylidene-2-thiobarbituric acid
TL;DR: 5-Vanillylidene-2-thiobarbituric acid (CAS 73681-14-8) is a chemical compound with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-Vanillylidene-2-thiobarbituric acid, BARBITURIC ACID, 2-THIO-5-VANILLYLIDENE-, 5-(4-hydroxy-3-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 4-25-00-00517 (Beilstein Handbook Reference)
| Molecular Formula | C12H10N2O4S |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 0.3151 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.03613 |
| Heavy Atoms | 19 |
| Complexity | 587.747 |
Chemical Identifiers
| CAS Number | 73681-14-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)O |
Product Overview
5-Vanillylidene-2-thiobarbituric acid (CAS 73681-14-8), with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol. IUPAC: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-Vanillylidene-2-thiobarbituric acid
Property Insights of 5-Vanillylidene-2-thiobarbituric acid
The XLogP value of 0.3151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Vanillylidene-2-thiobarbituric acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Vanillylidene-2-thiobarbituric acid. Following Lipinski's Rule of Five, 5-Vanillylidene-2-thiobarbituric acid has 3 hydrogen bond donor(s) and 5 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-Vanillylidene-2-thiobarbituric acid?
The CAS number of 5-Vanillylidene-2-thiobarbituric acid is 73681-14-8.
What is the molecular formula of 5-Vanillylidene-2-thiobarbituric acid?
The molecular formula of 5-Vanillylidene-2-thiobarbituric acid is C12H10N2O4S.
What is the molecular weight of 5-Vanillylidene-2-thiobarbituric acid?
The molecular weight of 5-Vanillylidene-2-thiobarbituric acid is 278.04 g/mol.
Where can I buy 5-Vanillylidene-2-thiobarbituric acid?
You can request a quote for 5-Vanillylidene-2-thiobarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Vanillylidene-2-thiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Vanillylidene-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.