2-(Benzylthio)ethanol
TL;DR: 2-(Benzylthio)ethanol (CAS 3878-41-9) 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.
2-benzylsulfanylethanol
Also Known As: 2-(Benzylthio)ethanol, 2-Hydroxyethyl benzyl sulfide, 2-benzylsulfanylethanol, 2-Hydroxyethylbenzylsulfide, 2-(benzylsulfanyl)ethan-1-ol
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 3878-41-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCO |
| InChIKey | ANMHSIXPUAKNLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylthio)ethanol (CAS 3878-41-9), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: 2-benzylsulfanylethanol.
Chemical Property Profile of 2-(Benzylthio)ethanol
Property Insights of 2-(Benzylthio)ethanol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylthio)ethanol. With a topological polar surface area (TPSA) of 45.5 Ų, 2-(Benzylthio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)ethanol 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 2-(Benzylthio)ethanol?
The CAS number of 2-(Benzylthio)ethanol is 3878-41-9.
What is the molecular formula of 2-(Benzylthio)ethanol?
The molecular formula of 2-(Benzylthio)ethanol is C9H12OS.
What is the molecular weight of 2-(Benzylthio)ethanol?
The molecular weight of 2-(Benzylthio)ethanol is 168.06 g/mol.
Where can I buy 2-(Benzylthio)ethanol?
You can request a quote for 2-(Benzylthio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylthio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.