O-ethyl N,N-dimethylcarbamothioate
TL;DR: O-ethyl N,N-dimethylcarbamothioate (CAS 3735-91-9) is a chemical compound with molecular formula C5H11NOS and molecular weight 133.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N,N-dimethylcarbamothioate
Also Known As: O-ethyl N,N-dimethylcarbamothioate, O-ethyl dimethylcarbamothioate, ethyl N,N-dimethylthiocarbamate, N,N-dimethylethoxycarbothioamide, N,N-Dimethylthiocarbamic acid O-ethyl ester
| Molecular Formula | C5H11NOS |
|---|---|
| Molecular Weight | 133.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.05614 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 3735-91-9 |
|---|---|
| SMILES | CCOC(=S)N(C)C |
| InChIKey | IOGFKDCIPLVNMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-ethyl N,N-dimethylcarbamothioate (CAS 3735-91-9), with molecular formula C5H11NOS and molecular weight 133.06 g/mol. IUPAC: O-ethyl N,N-dimethylcarbamothioate.
Chemical Property Profile of O-ethyl N,N-dimethylcarbamothioate
Property Insights of O-ethyl N,N-dimethylcarbamothioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-ethyl N,N-dimethylcarbamothioate. With a topological polar surface area (TPSA) of 44.6 Ų, O-ethyl N,N-dimethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-ethyl N,N-dimethylcarbamothioate has 0 hydrogen bond donor(s) and 2 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-ethyl N,N-dimethylcarbamothioate?
The CAS number of O-ethyl N,N-dimethylcarbamothioate is 3735-91-9.
What is the molecular formula of O-ethyl N,N-dimethylcarbamothioate?
The molecular formula of O-ethyl N,N-dimethylcarbamothioate is C5H11NOS.
What is the molecular weight of O-ethyl N,N-dimethylcarbamothioate?
The molecular weight of O-ethyl N,N-dimethylcarbamothioate is 133.06 g/mol.
Where can I buy O-ethyl N,N-dimethylcarbamothioate?
You can request a quote for O-ethyl 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-ethyl N,N-dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl N,N-dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.