![5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/3494/349486-91-5.webp)
5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 349486-91-5) is a chemical compound with molecular formula C11H8ClN3O2S and molecular weight 281.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chlorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-{[(3-CHLOROPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, F3220-0493, 5-[(3-chloroanilino)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[(3-chlorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one, 5-[(3-chloroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C11H8ClN3O2S |
|---|---|
| Molecular Weight | 281.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.00256 |
| Heavy Atoms | 18 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 349486-91-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N=CC2=C(NC(=S)NC2=O)O |
| InChIKey | XEXVPGMPNQDAIF-UHFFFAOYSA-N |
Product Overview
5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 349486-91-5), with molecular formula C11H8ClN3O2S and molecular weight 281.00 g/mol. IUPAC: 5-[(3-chlorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-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 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione is 349486-91-5.
What is the molecular formula of 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione is C11H8ClN3O2S.
What is the molecular weight of 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione is 281.00 g/mol.
Where can I buy 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-{[(3-Chlorophenyl)amino]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-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(3-Chlorophenyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.