O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate
TL;DR: O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate (CAS 13522-74-2) is a chemical compound with molecular formula C8H11N3OS2 and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate
Also Known As: O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate, O-[2-(methylsulfanyl)pyrimidin-4-yl] dimethylcarbamothioate, O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioat, N,N-Dimethyl-thiocarbamidsaeure-O-<2,6-di-tert.-butyl-4-methyl-phenylester>
| Molecular Formula | C8H11N3OS2 |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.03435 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 13522-74-2 |
|---|---|
| SMILES | CN(C)C(=S)OC1=NC(=NC=C1)SC |
| InChIKey | XCZRQKNFCVPWNX-UHFFFAOYSA-N |
Product Overview
O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate (CAS 13522-74-2), with molecular formula C8H11N3OS2 and molecular weight 229.03 g/mol. IUPAC: O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate.
Chemical Property Profile of O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate
Property Insights of O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate. Following Lipinski's Rule of Five, O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate has 0 hydrogen bond donor(s) and 5 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-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate?
The CAS number of O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate is 13522-74-2.
What is the molecular formula of O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate?
The molecular formula of O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate is C8H11N3OS2.
What is the molecular weight of O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate?
The molecular weight of O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate is 229.03 g/mol.
Where can I buy O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate?
You can request a quote for O-(2-methylsulfanylpyrimidin-4-yl) 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-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.