3-Chlorophenylthioethanol
TL;DR: 3-Chlorophenylthioethanol (CAS 13457-99-3) is a chemical compound with molecular formula C8H9ClOS and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)sulfanylethanol
Also Known As: 3-Chlorophenylthioethanol, 2-(3-chlorophenyl)sulfanylethanol, 2-[(3-Chlorophenyl)thio]ethanol, 2-<3-Chlor-phenylthio>-aethanol, 2-(3-Chloro-phenylsulfanyl)-ethanol
| Molecular Formula | C8H9ClOS |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 2.4244 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.00627 |
| Heavy Atoms | 11 |
| Complexity | 227.08698 |
Chemical Identifiers
| CAS Number | 13457-99-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)SCCO |
Product Overview
3-Chlorophenylthioethanol (CAS 13457-99-3), with molecular formula C8H9ClOS and molecular weight 188.01 g/mol. IUPAC: 2-(3-chlorophenyl)sulfanylethanol.
Chemical Property Profile of 3-Chlorophenylthioethanol
Property Insights of 3-Chlorophenylthioethanol
The XLogP value of 2.4244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorophenylthioethanol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Chlorophenylthioethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorophenylthioethanol 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-Chlorophenylthioethanol?
The CAS number of 3-Chlorophenylthioethanol is 13457-99-3.
What is the molecular formula of 3-Chlorophenylthioethanol?
The molecular formula of 3-Chlorophenylthioethanol is C8H9ClOS.
What is the molecular weight of 3-Chlorophenylthioethanol?
The molecular weight of 3-Chlorophenylthioethanol is 188.01 g/mol.
Where can I buy 3-Chlorophenylthioethanol?
You can request a quote for 3-Chlorophenylthioethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorophenylthioethanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorophenylthioethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.