Benzenecarbothioic acid, S-ethyl ester
TL;DR: Benzenecarbothioic acid, S-ethyl ester (CAS 1484-17-9) 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.
S-ethyl benzenecarbothioate
Also Known As: S-Ethyl benzothioate, S-Ethyl thiobenzoate, S-Ethyl benzenecarbothioate, Ethyl thiobenzoate, Thioethyl compound
| Molecular Formula | C9H10OS |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.4 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 | 1484-17-9 |
|---|---|
| SMILES | CCSC(=O)C1=CC=CC=C1 |
| InChIKey | XZJPOQGUMFRLEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenecarbothioic acid, S-ethyl ester (CAS 1484-17-9), with molecular formula C9H10OS and molecular weight 166.05 g/mol. IUPAC: S-ethyl benzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, S-ethyl ester
Property Insights of Benzenecarbothioic acid, S-ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioic acid, S-ethyl ester. With a topological polar surface area (TPSA) of 42.4 Ų, Benzenecarbothioic acid, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioic acid, S-ethyl ester 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 Benzenecarbothioic acid, S-ethyl ester?
The CAS number of Benzenecarbothioic acid, S-ethyl ester is 1484-17-9.
What is the molecular formula of Benzenecarbothioic acid, S-ethyl ester?
The molecular formula of Benzenecarbothioic acid, S-ethyl ester is C9H10OS.
What is the molecular weight of Benzenecarbothioic acid, S-ethyl ester?
The molecular weight of Benzenecarbothioic acid, S-ethyl ester is 166.05 g/mol.
Where can I buy Benzenecarbothioic acid, S-ethyl ester?
You can request a quote for Benzenecarbothioic acid, 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 Benzenecarbothioic acid, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.