4-(Ethylthio)benzyl alcohol
TL;DR: 4-(Ethylthio)benzyl alcohol (CAS 81518-54-9) is a chemical compound with molecular formula C9H12OS and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylsulfanylphenyl)methanol
Also Known As: 4-(ethylthio)benzyl alcohol, 4-(4-Ethylthio)benzyl alcohol, (4-ethylsulfanylphenyl)methanol, [4-(Ethylsulfanyl)phenyl]methanol, benzenemethanol, 4-(ethylthio)-
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 81518-54-9 |
|---|---|
| SMILES | CCSC1=CC=C(C=C1)CO |
| InChIKey | YDBSCPRFIBRIKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Ethylthio)benzyl alcohol (CAS 81518-54-9), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: (4-ethylsulfanylphenyl)methanol.
Chemical Property Profile of 4-(Ethylthio)benzyl alcohol
Property Insights of 4-(Ethylthio)benzyl alcohol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Ethylthio)benzyl alcohol. With a topological polar surface area (TPSA) of 45.5 Ų, 4-(Ethylthio)benzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Ethylthio)benzyl alcohol has 1 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 4-(Ethylthio)benzyl alcohol?
The CAS number of 4-(Ethylthio)benzyl alcohol is 81518-54-9.
What is the molecular formula of 4-(Ethylthio)benzyl alcohol?
The molecular formula of 4-(Ethylthio)benzyl alcohol is C9H12OS.
What is the molecular weight of 4-(Ethylthio)benzyl alcohol?
The molecular weight of 4-(Ethylthio)benzyl alcohol is 168.06 g/mol.
Where can I buy 4-(Ethylthio)benzyl alcohol?
You can request a quote for 4-(Ethylthio)benzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethylthio)benzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethylthio)benzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.