![3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione structure](/static/products/3215/321580-49-8.webp)
3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione
TL;DR: 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione (CAS 321580-49-8) is a chemical compound with molecular formula C13H19N3O2S2 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)phenyl]-3-(1,1-dioxothiolan-3-yl)thiourea
Also Known As: BAS 00159048, 3-[({[3-(dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione, 1-[3-(dimethylamino)phenyl]-3-(1,1-dioxothiolan-3-yl)thiourea, 1-(3-(dimethylamino)phenyl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea
| Molecular Formula | C13H19N3O2S2 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 1.2261 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.09186 |
| Heavy Atoms | 20 |
| Complexity | 599.38873 |
Chemical Identifiers
| CAS Number | 321580-49-8 |
|---|---|
| SMILES | CN(C)C1=CC=CC(=C1)NC(=S)NC2CCS(=O)(=O)C2 |
Product Overview
3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione (CAS 321580-49-8), with molecular formula C13H19N3O2S2 and molecular weight 313.09 g/mol. IUPAC: 1-[3-(dimethylamino)phenyl]-3-(1,1-dioxothiolan-3-yl)thiourea.
Chemical Property Profile of 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione
Property Insights of 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione
The XLogP value of 1.2261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione. Following Lipinski's Rule of Five, 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione has 2 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 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione?
The CAS number of 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione is 321580-49-8.
What is the molecular formula of 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione?
The molecular formula of 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione is C13H19N3O2S2.
What is the molecular weight of 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione?
The molecular weight of 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione is 313.09 g/mol.
Where can I buy 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione?
You can request a quote for 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[({[3-(Dimethylamino)phenyl]amino}thioxomethyl)amino]thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.