5-(O-Vanillylidene)-2-Thiobarbituric Acid
TL;DR: 5-(O-Vanillylidene)-2-Thiobarbituric Acid (CAS 201742-62-3) 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-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(O-Vanillylidene)-2-Thiobarbituric Acid, 5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 4,6-dihydroxy-5-(2-hydroxy-3-methoxybenzylidene)-2(5H)-pyrimidinethione, 5-(2-Hydroxy-3-methoxy-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione, 5-[(2-hydroxy-3-methoxyphenyl)methylene]-2-thioxopyrimidine-4,6-diol
| 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 | 201742-62-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)C=C2C(=O)NC(=S)NC2=O |
Product Overview
5-(O-Vanillylidene)-2-Thiobarbituric Acid (CAS 201742-62-3), with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol. IUPAC: 5-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(O-Vanillylidene)-2-Thiobarbituric Acid
Property Insights of 5-(O-Vanillylidene)-2-Thiobarbituric Acid
The XLogP value of 0.3151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(O-Vanillylidene)-2-Thiobarbituric Acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(O-Vanillylidene)-2-Thiobarbituric Acid. Following Lipinski's Rule of Five, 5-(O-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-(O-Vanillylidene)-2-Thiobarbituric Acid?
The CAS number of 5-(O-Vanillylidene)-2-Thiobarbituric Acid is 201742-62-3.
What is the molecular formula of 5-(O-Vanillylidene)-2-Thiobarbituric Acid?
The molecular formula of 5-(O-Vanillylidene)-2-Thiobarbituric Acid is C12H10N2O4S.
What is the molecular weight of 5-(O-Vanillylidene)-2-Thiobarbituric Acid?
The molecular weight of 5-(O-Vanillylidene)-2-Thiobarbituric Acid is 278.04 g/mol.
Where can I buy 5-(O-Vanillylidene)-2-Thiobarbituric Acid?
You can request a quote for 5-(O-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-(O-Vanillylidene)-2-Thiobarbituric Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(O-Vanillylidene)-2-Thiobarbituric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.