O-Ethyl N-phenylcarbamothioate
TL;DR: O-Ethyl N-phenylcarbamothioate (CAS 3111-89-5) is a chemical compound with molecular formula C9H11NOS and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl N-phenylcarbamothioate
Also Known As: O-Ethyl thiocarbanilate, Phenylthiourethane, O-Ethyl phenylcarbamothioate, O-ethyl N-phenylcarbamothioate, Ethyl N-phenylthiocarbamate
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 2.4199 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 247.96527 |
Chemical Identifiers
| CAS Number | 3111-89-5 |
|---|---|
| SMILES | CCOC(=S)NC1=CC=CC=C1 |
Product Overview
O-Ethyl N-phenylcarbamothioate (CAS 3111-89-5), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: O-ethyl N-phenylcarbamothioate.
Chemical Property Profile of O-Ethyl N-phenylcarbamothioate
Property Insights of O-Ethyl N-phenylcarbamothioate
The XLogP value of 2.4199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl N-phenylcarbamothioate. With a topological polar surface area (TPSA) of 21.26 Ų, O-Ethyl N-phenylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Ethyl N-phenylcarbamothioate has 1 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-phenylcarbamothioate?
The CAS number of O-Ethyl N-phenylcarbamothioate is 3111-89-5.
What is the molecular formula of O-Ethyl N-phenylcarbamothioate?
The molecular formula of O-Ethyl N-phenylcarbamothioate is C9H11NOS.
What is the molecular weight of O-Ethyl N-phenylcarbamothioate?
The molecular weight of O-Ethyl N-phenylcarbamothioate is 181.06 g/mol.
Where can I buy O-Ethyl N-phenylcarbamothioate?
You can request a quote for O-Ethyl N-phenylcarbamothioate 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-phenylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl N-phenylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.