S-(4-Acetylphenyl) dimethylcarbamothioate
TL;DR: S-(4-Acetylphenyl) dimethylcarbamothioate (CAS 13511-90-5) 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.
S-(4-acetylphenyl) N,N-dimethylcarbamothioate
Also Known As: S-(4-acetylphenyl) dimethylcarbamothioate, S-(4-acetylphenyl) N,N-dimethylcarbamothioate, p-Acetyl-phenyl-N.N-dimethyl-thiolcarbamat, J1.628.047J, 1-(4-acetylphenyl)sulfanyl-N,N-dimethyl-formamide
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.7 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 | 13511-90-5 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)SC(=O)N(C)C |
| InChIKey | HOQMOQRSJLHIOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(4-Acetylphenyl) dimethylcarbamothioate (CAS 13511-90-5), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: S-(4-acetylphenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of S-(4-Acetylphenyl) dimethylcarbamothioate
Property Insights of S-(4-Acetylphenyl) dimethylcarbamothioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4-Acetylphenyl) dimethylcarbamothioate. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-Acetylphenyl) dimethylcarbamothioate. Following Lipinski's Rule of Five, S-(4-Acetylphenyl) 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 S-(4-Acetylphenyl) dimethylcarbamothioate?
The CAS number of S-(4-Acetylphenyl) dimethylcarbamothioate is 13511-90-5.
What is the molecular formula of S-(4-Acetylphenyl) dimethylcarbamothioate?
The molecular formula of S-(4-Acetylphenyl) dimethylcarbamothioate is C11H13NO2S.
What is the molecular weight of S-(4-Acetylphenyl) dimethylcarbamothioate?
The molecular weight of S-(4-Acetylphenyl) dimethylcarbamothioate is 223.07 g/mol.
Where can I buy S-(4-Acetylphenyl) dimethylcarbamothioate?
You can request a quote for S-(4-Acetylphenyl) dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Acetylphenyl) dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Acetylphenyl) dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.