![5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/349/349486-58-4.png)
5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 349486-58-4) is a chemical compound with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-aminophenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[(3-aminophenyl)amino]methylidene}-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one, 5-(((3-aminophenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-{[(3-AMINOPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C11H10N4O2S |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.05246 |
| Heavy Atoms | 18 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 349486-58-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=CC2=C(NC(=S)NC2=O)O)N |
| InChIKey | YWJGMEBFGUUOFH-UHFFFAOYSA-N |
Product Overview
5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 349486-58-4), with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol. IUPAC: 5-[(3-aminophenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has 4 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-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 349486-58-4.
What is the molecular formula of 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C11H10N4O2S.
What is the molecular weight of 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 262.05 g/mol.
Where can I buy 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-aminoanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.