5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
TL;DR: 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 69791-23-7) is a chemical compound with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-anilinomethylene-2-thiobarbituric acid, 5-(Anilinomethylene)-2-thiobarbituric acid, 5-[(PHENYLAMINO)METHYLIDENE]-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, J3.370.516F, 5-((phenylamino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C11H9N3O2S |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 1.88869 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.04155 |
| Heavy Atoms | 17 |
| Complexity | 658.40704 |
Chemical Identifiers
| CAS Number | 69791-23-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=C(NC(=S)NC2=O)O |
Product Overview
5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 69791-23-7), with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol. IUPAC: 6-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Property Insights of 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
The XLogP value of 1.88869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. The TPSA of 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione 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 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The CAS number of 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 69791-23-7.
What is the molecular formula of 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is C11H9N3O2S.
What is the molecular weight of 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 247.04 g/mol.
Where can I buy 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Anilinomethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.