![3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione structure](/static/products/5072/507252-54-2.webp)
3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione
TL;DR: 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione (CAS 507252-54-2) is a chemical compound with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-3-(4-methylphenyl)thiourea
Also Known As: 3-({[(4-methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione, 1-(1,1-dioxothiolan-3-yl)-3-(4-methylphenyl)thiourea, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(p-tolyl)thiourea, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methylphenyl)thiourea
| Molecular Formula | C12H16N2O2S2 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 1.46852 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0653 |
| Heavy Atoms | 18 |
| Complexity | 537.70074 |
Chemical Identifiers
| CAS Number | 507252-54-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NC2CCS(=O)(=O)C2 |
Product Overview
3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione (CAS 507252-54-2), with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-(4-methylphenyl)thiourea.
Chemical Property Profile of 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione
Property Insights of 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione
The XLogP value of 1.46852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione has 2 hydrogen bond donor(s) and 3 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-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione?
The CAS number of 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione is 507252-54-2.
What is the molecular formula of 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione?
The molecular formula of 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione is C12H16N2O2S2.
What is the molecular weight of 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione?
The molecular weight of 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione is 284.07 g/mol.
Where can I buy 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione?
You can request a quote for 3-({[(4-Methylphenyl)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-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(4-Methylphenyl)amino]thioxomethyl}amino)thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.