3,4-Dichlorophenylthioethanol
TL;DR: 3,4-Dichlorophenylthioethanol (CAS 85053-06-1) is a chemical compound with molecular formula C8H8Cl2OS and molecular weight 221.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)sulfanylethanol
Also Known As: 3,4-Dichlorophenylthioethanol, 2-(3,4-dichlorophenyl)sulfanylethanol, 2-[(3,4-dichlorophenyl)thio]ethanol, 2-(3,4-dichlorophenylsulfanyl)-1-ethanol, 2-(3,4-dichlorophenylthio)ethan-1-ol
| Molecular Formula | C8H8Cl2OS |
|---|---|
| Molecular Weight | 221.97 g/mol |
| LogP | 3.0778 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.96729 |
| Heavy Atoms | 12 |
| Complexity | 265.2348 |
Chemical Identifiers
| CAS Number | 85053-06-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1SCCO)Cl)Cl |
Product Overview
3,4-Dichlorophenylthioethanol (CAS 85053-06-1), with molecular formula C8H8Cl2OS and molecular weight 221.97 g/mol. IUPAC: 2-(3,4-dichlorophenyl)sulfanylethanol.
Chemical Property Profile of 3,4-Dichlorophenylthioethanol
Property Insights of 3,4-Dichlorophenylthioethanol
The XLogP value of 3.0778 indicates that 3,4-Dichlorophenylthioethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 3,4-Dichlorophenylthioethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorophenylthioethanol 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 3,4-Dichlorophenylthioethanol?
The CAS number of 3,4-Dichlorophenylthioethanol is 85053-06-1.
What is the molecular formula of 3,4-Dichlorophenylthioethanol?
The molecular formula of 3,4-Dichlorophenylthioethanol is C8H8Cl2OS.
What is the molecular weight of 3,4-Dichlorophenylthioethanol?
The molecular weight of 3,4-Dichlorophenylthioethanol is 221.97 g/mol.
Where can I buy 3,4-Dichlorophenylthioethanol?
You can request a quote for 3,4-Dichlorophenylthioethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorophenylthioethanol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorophenylthioethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.