O-(4-aminophenyl) dimethylcarbamothioate
TL;DR: O-(4-aminophenyl) dimethylcarbamothioate (CAS 13522-32-2) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-aminophenyl) N,N-dimethylcarbamothioate
Also Known As: O-(4-aminophenyl) dimethylcarbamothioate, O-(4-aminophenyl) N,N-dimethylcarbamothioate
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 13522-32-2 |
|---|---|
| SMILES | CN(C)C(=S)OC1=CC=C(C=C1)N |
| InChIKey | AXQZHOIJKQWNIR-UHFFFAOYSA-N |
Product Overview
O-(4-aminophenyl) dimethylcarbamothioate (CAS 13522-32-2), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: O-(4-aminophenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of O-(4-aminophenyl) dimethylcarbamothioate
Property Insights of O-(4-aminophenyl) dimethylcarbamothioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(4-aminophenyl) dimethylcarbamothioate. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-aminophenyl) dimethylcarbamothioate. Following Lipinski's Rule of Five, O-(4-aminophenyl) dimethylcarbamothioate has 1 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-aminophenyl) dimethylcarbamothioate?
The CAS number of O-(4-aminophenyl) dimethylcarbamothioate is 13522-32-2.
What is the molecular formula of O-(4-aminophenyl) dimethylcarbamothioate?
The molecular formula of O-(4-aminophenyl) dimethylcarbamothioate is C9H12N2OS.
What is the molecular weight of O-(4-aminophenyl) dimethylcarbamothioate?
The molecular weight of O-(4-aminophenyl) dimethylcarbamothioate is 196.07 g/mol.
Where can I buy O-(4-aminophenyl) dimethylcarbamothioate?
You can request a quote for O-(4-aminophenyl) 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-aminophenyl) dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-aminophenyl) dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.