O-(4-acetylphenyl) N,N-dimethylcarbamothioate
TL;DR: O-(4-acetylphenyl) N,N-dimethylcarbamothioate (CAS 10345-50-3) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-acetylphenyl) N,N-dimethylcarbamothioate
Also Known As: O-(4-Acetylphenyl) dimethylcarbamothioate, O-(4-acetylphenyl) N,N-dimethylcarbamothioate, Dimethylthiocarbamic acid O-(4-acetylphenyl) ester, J1.628.049F, 1-(4-acetylphenoxy)-N,N-dimethylmethanethioamide
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 10345-50-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=S)N(C)C |
| InChIKey | XHRMXNSVZKQWHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(4-acetylphenyl) N,N-dimethylcarbamothioate (CAS 10345-50-3), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: O-(4-acetylphenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of O-(4-acetylphenyl) N,N-dimethylcarbamothioate
Property Insights of O-(4-acetylphenyl) N,N-dimethylcarbamothioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(4-acetylphenyl) N,N-dimethylcarbamothioate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-acetylphenyl) N,N-dimethylcarbamothioate. Following Lipinski's Rule of Five, O-(4-acetylphenyl) N,N-dimethylcarbamothioate has 0 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 O-(4-acetylphenyl) N,N-dimethylcarbamothioate?
The CAS number of O-(4-acetylphenyl) N,N-dimethylcarbamothioate is 10345-50-3.
What is the molecular formula of O-(4-acetylphenyl) N,N-dimethylcarbamothioate?
The molecular formula of O-(4-acetylphenyl) N,N-dimethylcarbamothioate is C11H13NO2S.
What is the molecular weight of O-(4-acetylphenyl) N,N-dimethylcarbamothioate?
The molecular weight of O-(4-acetylphenyl) N,N-dimethylcarbamothioate is 223.07 g/mol.
Where can I buy O-(4-acetylphenyl) N,N-dimethylcarbamothioate?
You can request a quote for O-(4-acetylphenyl) N,N-dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-acetylphenyl) N,N-dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-acetylphenyl) N,N-dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.