S-ethyl N-(3-hydroxyphenyl)carbamothioate
TL;DR: S-ethyl N-(3-hydroxyphenyl)carbamothioate (CAS 40804-59-9) is a chemical compound with molecular formula C9H11NO2S and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-(3-hydroxyphenyl)carbamothioate
Also Known As: S-ethyl N-(3-hydroxyphenyl)carbamothioate, S-Ethyl (3-hydroxyphenyl)carbamothioate
| Molecular Formula | C9H11NO2S |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.05106 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 40804-59-9 |
|---|---|
| SMILES | CCSC(=O)NC1=CC(=CC=C1)O |
| InChIKey | INSBZUICPCZNTB-UHFFFAOYSA-N |
Product Overview
S-ethyl N-(3-hydroxyphenyl)carbamothioate (CAS 40804-59-9), with molecular formula C9H11NO2S and molecular weight 197.05 g/mol. IUPAC: S-ethyl N-(3-hydroxyphenyl)carbamothioate.
Chemical Property Profile of S-ethyl N-(3-hydroxyphenyl)carbamothioate
Property Insights of S-ethyl N-(3-hydroxyphenyl)carbamothioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-ethyl N-(3-hydroxyphenyl)carbamothioate. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-ethyl N-(3-hydroxyphenyl)carbamothioate. Following Lipinski's Rule of Five, S-ethyl N-(3-hydroxyphenyl)carbamothioate has 2 hydrogen bond donor(s) and 3 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-(3-hydroxyphenyl)carbamothioate?
The CAS number of S-ethyl N-(3-hydroxyphenyl)carbamothioate is 40804-59-9.
What is the molecular formula of S-ethyl N-(3-hydroxyphenyl)carbamothioate?
The molecular formula of S-ethyl N-(3-hydroxyphenyl)carbamothioate is C9H11NO2S.
What is the molecular weight of S-ethyl N-(3-hydroxyphenyl)carbamothioate?
The molecular weight of S-ethyl N-(3-hydroxyphenyl)carbamothioate is 197.05 g/mol.
Where can I buy S-ethyl N-(3-hydroxyphenyl)carbamothioate?
You can request a quote for S-ethyl N-(3-hydroxyphenyl)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-(3-hydroxyphenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl N-(3-hydroxyphenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.