2-(((4-Chlorophenyl)methyl)thio)ethanol
TL;DR: 2-(((4-Chlorophenyl)methyl)thio)ethanol (CAS 71501-40-1) is a chemical compound with molecular formula C9H11ClOS and molecular weight 202.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]ethanol
Also Known As: 2-p-Chlorobenzylthioethanol, 2-(4-Chlorobenzylthio)ethanol, 2-(((4-Chlorophenyl)methyl)thio)ethanol, Ethanol, 2-(p-chlorobenzylthio)-, 2-(p-Chlorobenzylthio)ethanol
| Molecular Formula | C9H11ClOS |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.02191 |
| Heavy Atoms | 12 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 71501-40-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCCO)Cl |
| InChIKey | DKNBCVYGWWWYEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(((4-Chlorophenyl)methyl)thio)ethanol (CAS 71501-40-1), with molecular formula C9H11ClOS and molecular weight 202.02 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]ethanol.
Chemical Property Profile of 2-(((4-Chlorophenyl)methyl)thio)ethanol
Property Insights of 2-(((4-Chlorophenyl)methyl)thio)ethanol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((4-Chlorophenyl)methyl)thio)ethanol. With a topological polar surface area (TPSA) of 45.5 Ų, 2-(((4-Chlorophenyl)methyl)thio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((4-Chlorophenyl)methyl)thio)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-(((4-Chlorophenyl)methyl)thio)ethanol?
The CAS number of 2-(((4-Chlorophenyl)methyl)thio)ethanol is 71501-40-1.
What is the molecular formula of 2-(((4-Chlorophenyl)methyl)thio)ethanol?
The molecular formula of 2-(((4-Chlorophenyl)methyl)thio)ethanol is C9H11ClOS.
What is the molecular weight of 2-(((4-Chlorophenyl)methyl)thio)ethanol?
The molecular weight of 2-(((4-Chlorophenyl)methyl)thio)ethanol is 202.02 g/mol.
Where can I buy 2-(((4-Chlorophenyl)methyl)thio)ethanol?
You can request a quote for 2-(((4-Chlorophenyl)methyl)thio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((4-Chlorophenyl)methyl)thio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4-Chlorophenyl)methyl)thio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.