2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione
TL;DR: 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione (CAS 93341-40-3) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: phenyl trans-p-methoxycinnamate, 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione, N-(3-methylphenyl)thiobarbituric acid, 1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.13282 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 464.62784 |
Chemical Identifiers
| CAS Number | 93341-40-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)CC(=O)NC2=S |
Product Overview
2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione (CAS 93341-40-3), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione
Property Insights of 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.13282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione has 1 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 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione?
The CAS number of 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione is 93341-40-3.
What is the molecular formula of 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione?
The molecular formula of 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione is C11H10N2O2S.
What is the molecular weight of 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione?
The molecular weight of 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione is 234.05 g/mol.
Where can I buy 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione?
You can request a quote for 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-1-(m-tolyl)pyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.