![3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione structure](/static/products/5072/507252-80-4.webp)
3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione
TL;DR: 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione (CAS 507252-80-4) is a chemical compound with molecular formula C12H16N2O3S2 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hydroxyphenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)thiourea
Also Known As: 1-(3-hydroxyphenyl)-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)thiourea, 3-({[(3-hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione, 1-(3-hydroxyphenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)thiourea
| Molecular Formula | C12H16N2O3S2 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 1.2558 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.06024 |
| Heavy Atoms | 19 |
| Complexity | 600.747 |
Chemical Identifiers
| CAS Number | 507252-80-4 |
|---|---|
| SMILES | CC1(CCS(=O)(=O)C1)NC(=S)NC2=CC(=CC=C2)O |
Product Overview
3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione (CAS 507252-80-4), with molecular formula C12H16N2O3S2 and molecular weight 300.06 g/mol. IUPAC: 1-(3-hydroxyphenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)thiourea.
Chemical Property Profile of 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione
Property Insights of 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione
The XLogP value of 1.2558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione. Following Lipinski's Rule of Five, 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-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 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione?
The CAS number of 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione is 507252-80-4.
What is the molecular formula of 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione?
The molecular formula of 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione is C12H16N2O3S2.
What is the molecular weight of 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione?
The molecular weight of 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione is 300.06 g/mol.
Where can I buy 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione?
You can request a quote for 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-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-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(3-Hydroxyphenyl)amino]thioxomethyl}amino)-3-methylthiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.