S-Phenyl ethylcarbamothioate
TL;DR: S-Phenyl ethylcarbamothioate (CAS 5344-18-3) 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.
S-phenyl N-ethylcarbamothioate
Also Known As: S-Phenyl ethylcarbamothioate, Phenyl- N-ethylthiocarbamate, S-phenyl ethylthiocarbamate, S-beta-Phenylthioethyl thiocarbamate, S-phenyl N-ethylcarbamothioate
| Molecular Formula | C9H11NOS |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.05614 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 5344-18-3 |
|---|---|
| SMILES | CCNC(=O)SC1=CC=CC=C1 |
| InChIKey | SYAZQKDGCCZTGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Phenyl ethylcarbamothioate (CAS 5344-18-3), with molecular formula C9H11NOS and molecular weight 181.06 g/mol. IUPAC: S-phenyl N-ethylcarbamothioate.
Chemical Property Profile of S-Phenyl ethylcarbamothioate
Property Insights of S-Phenyl ethylcarbamothioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Phenyl ethylcarbamothioate. With a topological polar surface area (TPSA) of 54.4 Ų, S-Phenyl ethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Phenyl ethylcarbamothioate 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-Phenyl ethylcarbamothioate?
The CAS number of S-Phenyl ethylcarbamothioate is 5344-18-3.
What is the molecular formula of S-Phenyl ethylcarbamothioate?
The molecular formula of S-Phenyl ethylcarbamothioate is C9H11NOS.
What is the molecular weight of S-Phenyl ethylcarbamothioate?
The molecular weight of S-Phenyl ethylcarbamothioate is 181.06 g/mol.
Where can I buy S-Phenyl ethylcarbamothioate?
You can request a quote for S-Phenyl ethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Phenyl ethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Phenyl ethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.