Ethyl thiobenzoate
TL;DR: Ethyl thiobenzoate (CAS 936-61-8) is a chemical compound with molecular formula C9H10OS and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl benzenecarbothioate
Also Known As: Ethyl thiobenzoate, o-Ethyl benzenecarbothioate, O-Ethyl thiobenzoate, Ethyl thionbenzoate, O-ethyl benzothioate
| Molecular Formula | C9H10OS |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.04524 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 936-61-8 |
|---|---|
| SMILES | CCOC(=S)C1=CC=CC=C1 |
| InChIKey | MNWSBFYOBQCIME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl thiobenzoate (CAS 936-61-8), with molecular formula C9H10OS and molecular weight 166.05 g/mol. IUPAC: O-ethyl benzenecarbothioate.
Chemical Property Profile of Ethyl thiobenzoate
Property Insights of Ethyl thiobenzoate
The XLogP value of 3.2 indicates that Ethyl thiobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, Ethyl thiobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl thiobenzoate 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 Ethyl thiobenzoate?
The CAS number of Ethyl thiobenzoate is 936-61-8.
What is the molecular formula of Ethyl thiobenzoate?
The molecular formula of Ethyl thiobenzoate is C9H10OS.
What is the molecular weight of Ethyl thiobenzoate?
The molecular weight of Ethyl thiobenzoate is 166.05 g/mol.
Where can I buy Ethyl thiobenzoate?
You can request a quote for Ethyl thiobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl thiobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl thiobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.