2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione (CAS 200626-85-3) is a chemical compound with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(4-methylphenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione, 5-{[(4-methylphenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione, 6-hydroxy-5-[(4-methylphenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one, F3220-0499, 5-[(4-methylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C12H11N3O2S |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0572 |
| Heavy Atoms | 18 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 200626-85-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=CC2=C(NC(=S)NC2=O)O |
| InChIKey | DZTXHVQTMVIKRK-UHFFFAOYSA-N |
Product Overview
2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione (CAS 200626-85-3), with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol. IUPAC: 6-hydroxy-5-[(4-methylphenyl)iminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione 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
Frequently Asked Questions
What is the CAS number of 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione is 200626-85-3.
What is the molecular formula of 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione is C12H11N3O2S.
What is the molecular weight of 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione is 261.06 g/mol.
Where can I buy 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-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-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-thioxo-5-((p-tolylamino)methylene)dihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.