S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate
TL;DR: S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate (CAS 92886-89-0) is a chemical compound with molecular formula C12H17NOS and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-methyl-N-(2-phenylethyl)carbamothioate
Also Known As: S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate, S-ethyl N-methyl-N-phenethylcarbamothioate, S-Ethyl methyl(2-phenylethyl)carbamothioate, 1-ethylsulfanyl-N-methyl-N-phenethyl-formamide, carbamothioic acid,methyl(2-phenylethyl)-, s-ethyl ester
| Molecular Formula | C12H17NOS |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.10309 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 92886-89-0 |
|---|---|
| SMILES | CCSC(=O)N(C)CCC1=CC=CC=C1 |
| InChIKey | QKZYXVYNKCHBIC-UHFFFAOYSA-N |
Product Overview
S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate (CAS 92886-89-0), with molecular formula C12H17NOS and molecular weight 223.10 g/mol. IUPAC: S-ethyl N-methyl-N-(2-phenylethyl)carbamothioate.
Chemical Property Profile of S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate
Property Insights of S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate
The XLogP value of 3.0 indicates that S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate 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 S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate?
The CAS number of S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate is 92886-89-0.
What is the molecular formula of S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate?
The molecular formula of S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate is C12H17NOS.
What is the molecular weight of S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate?
The molecular weight of S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate is 223.10 g/mol.
Where can I buy S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate?
You can request a quote for S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl N-methyl-N-(2-phenylethyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.