Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester
TL;DR: Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester (CAS 58749-53-4) 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-(2-phenylethyl)carbamothioate
Also Known As: S-Ethyl (2-phenylethyl)carbamothioate, S-ethyl N-phenethylcarbamothioate, Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester
| Molecular Formula | C11H15NOS |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.08743 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 58749-53-4 |
|---|---|
| SMILES | CCSC(=O)NCCC1=CC=CC=C1 |
| InChIKey | TXTSEGDKZFNDDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester (CAS 58749-53-4), with molecular formula C11H15NOS and molecular weight 209.09 g/mol. IUPAC: S-ethyl N-(2-phenylethyl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester
Property Insights of Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester 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 Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester?
The CAS number of Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester is 58749-53-4.
What is the molecular formula of Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester?
The molecular formula of Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester is C11H15NOS.
What is the molecular weight of Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester?
The molecular weight of Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester is 209.09 g/mol.
Where can I buy Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester?
You can request a quote for Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (2-phenylethyl)-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.