S-ethyl N-(1-phenylethyl)carbamothioate
TL;DR: S-ethyl N-(1-phenylethyl)carbamothioate (CAS 13070-33-2) is a chemical compound with molecular formula C11H15NOS and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-(1-phenylethyl)carbamothioate
Also Known As: s-ethyl(1-phenylethyl)carbamothioate, S-ethyl N-(1-phenylethyl)carbamothioate, 1-ethylsulfanyl-N-(1-phenylethyl)formamide, S-Ethyl hydrogen (1-phenylethyl)carbonimidothioate
| Molecular Formula | C11H15NOS |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.08743 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 13070-33-2 |
|---|---|
| SMILES | CCSC(=O)NC(C)C1=CC=CC=C1 |
| InChIKey | JKXNNKOAYZKMOY-UHFFFAOYSA-N |
Product Overview
S-ethyl N-(1-phenylethyl)carbamothioate (CAS 13070-33-2), with molecular formula C11H15NOS and molecular weight 209.09 g/mol. IUPAC: S-ethyl N-(1-phenylethyl)carbamothioate.
Chemical Property Profile of S-ethyl N-(1-phenylethyl)carbamothioate
Property Insights of S-ethyl N-(1-phenylethyl)carbamothioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-ethyl N-(1-phenylethyl)carbamothioate. With a topological polar surface area (TPSA) of 54.4 Ų, S-ethyl N-(1-phenylethyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-ethyl N-(1-phenylethyl)carbamothioate 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 S-ethyl N-(1-phenylethyl)carbamothioate?
The CAS number of S-ethyl N-(1-phenylethyl)carbamothioate is 13070-33-2.
What is the molecular formula of S-ethyl N-(1-phenylethyl)carbamothioate?
The molecular formula of S-ethyl N-(1-phenylethyl)carbamothioate is C11H15NOS.
What is the molecular weight of S-ethyl N-(1-phenylethyl)carbamothioate?
The molecular weight of S-ethyl N-(1-phenylethyl)carbamothioate is 209.09 g/mol.
Where can I buy S-ethyl N-(1-phenylethyl)carbamothioate?
You can request a quote for S-ethyl N-(1-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-(1-phenylethyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl N-(1-phenylethyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.