2-Ethylsulfanylbenzoate
TL;DR: 2-Ethylsulfanylbenzoate (CAS 52772-11-9) is a chemical compound with molecular formula C9H9O2S- and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylbenzoate
Also Known As: Ethylthiosalicylate, 2-ethylsulfanylbenzoate
| Molecular Formula | C9H9O2S- |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 1.1621 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.03232 |
| Heavy Atoms | 12 |
| Complexity | 283.61197 |
Chemical Identifiers
| CAS Number | 52772-11-9 |
|---|---|
| SMILES | CCSC1=CC=CC=C1C(=O)[O-] |
Product Overview
2-Ethylsulfanylbenzoate (CAS 52772-11-9), with molecular formula C9H9O2S- and molecular weight 181.03 g/mol. IUPAC: 2-ethylsulfanylbenzoate.
Chemical Property Profile of 2-Ethylsulfanylbenzoate
Property Insights of 2-Ethylsulfanylbenzoate
The XLogP value of 1.1621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylsulfanylbenzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 2-Ethylsulfanylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylsulfanylbenzoate has 0 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 2-Ethylsulfanylbenzoate?
The CAS number of 2-Ethylsulfanylbenzoate is 52772-11-9.
What is the molecular formula of 2-Ethylsulfanylbenzoate?
The molecular formula of 2-Ethylsulfanylbenzoate is C9H9O2S-.
What is the molecular weight of 2-Ethylsulfanylbenzoate?
The molecular weight of 2-Ethylsulfanylbenzoate is 181.03 g/mol.
Where can I buy 2-Ethylsulfanylbenzoate?
You can request a quote for 2-Ethylsulfanylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylsulfanylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylsulfanylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.