4-Ethylbenzenethiol
TL;DR: 4-Ethylbenzenethiol (CAS 4946-13-8) is a chemical compound with molecular formula C8H10S and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylbenzenethiol
Also Known As: 4-Ethylthiophenol, 4-ethylbenzenethiol, 4-Ethyl thiophenol, 4-ethylbenzene-1-thiol, p-ethylthiophenol
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 2.5377 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 176.26405 |
Chemical Identifiers
| CAS Number | 4946-13-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)S |
Product Overview
4-Ethylbenzenethiol (CAS 4946-13-8), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: 4-ethylbenzenethiol.
Chemical Property Profile of 4-Ethylbenzenethiol
Property Insights of 4-Ethylbenzenethiol
The XLogP value of 2.5377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylbenzenethiol. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Ethylbenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylbenzenethiol has 1 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 4-Ethylbenzenethiol?
The CAS number of 4-Ethylbenzenethiol is 4946-13-8.
What is the molecular formula of 4-Ethylbenzenethiol?
The molecular formula of 4-Ethylbenzenethiol is C8H10S.
What is the molecular weight of 4-Ethylbenzenethiol?
The molecular weight of 4-Ethylbenzenethiol is 138.05 g/mol.
Where can I buy 4-Ethylbenzenethiol?
You can request a quote for 4-Ethylbenzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylbenzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylbenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.