2-Ethylbenzenethiolate
TL;DR: 2-Ethylbenzenethiolate (CAS 4500-58-7) is a chemical compound with molecular formula C8H9S- and molecular weight 137.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbenzenethiolate
Also Known As: 2-Ethylbenzenethiol, 2-ethylbenzenethiolate, 2-ethyl benzene thiol
| Molecular Formula | C8H9S- |
|---|---|
| Molecular Weight | 137.04 g/mol |
| LogP | 2.1548 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.0425 |
| Heavy Atoms | 9 |
| Complexity | 193.51405 |
Chemical Identifiers
| CAS Number | 4500-58-7 |
|---|---|
| SMILES | CCC1=CC=CC=C1[S-] |
Product Overview
2-Ethylbenzenethiolate (CAS 4500-58-7), with molecular formula C8H9S- and molecular weight 137.04 g/mol. IUPAC: 2-ethylbenzenethiolate.
Chemical Property Profile of 2-Ethylbenzenethiolate
Property Insights of 2-Ethylbenzenethiolate
The XLogP value of 2.1548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylbenzenethiolate. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Ethylbenzenethiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbenzenethiolate has 0 hydrogen bond donor(s) and 1 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-Ethylbenzenethiolate?
The CAS number of 2-Ethylbenzenethiolate is 4500-58-7.
What is the molecular formula of 2-Ethylbenzenethiolate?
The molecular formula of 2-Ethylbenzenethiolate is C8H9S-.
What is the molecular weight of 2-Ethylbenzenethiolate?
The molecular weight of 2-Ethylbenzenethiolate is 137.04 g/mol.
Where can I buy 2-Ethylbenzenethiolate?
You can request a quote for 2-Ethylbenzenethiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbenzenethiolate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbenzenethiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.