3-Methoxyphenylthioethanol
TL;DR: 3-Methoxyphenylthioethanol (CAS 13458-00-9) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyphenyl)sulfanylethanol
Also Known As: 3-Methoxyphenylthioethanol, 2-(3-Methoxy-phenylsulfanyl)-ethanol, 2-(3-methoxyphenyl)sulfanylethanol, 2-(3-Methoxyphenylsulfanyl)ethanol, 2-(3-methoxyphenylthio)ethan-1-ol
| Molecular Formula | C9H12O2S |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.7796 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.0558 |
| Heavy Atoms | 12 |
| Complexity | 237.72507 |
Chemical Identifiers
| CAS Number | 13458-00-9 |
|---|---|
| SMILES | COC1=CC(=CC=C1)SCCO |
Product Overview
3-Methoxyphenylthioethanol (CAS 13458-00-9), with molecular formula C9H12O2S and molecular weight 184.06 g/mol. IUPAC: 2-(3-methoxyphenyl)sulfanylethanol.
Chemical Property Profile of 3-Methoxyphenylthioethanol
Property Insights of 3-Methoxyphenylthioethanol
The XLogP value of 1.7796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxyphenylthioethanol. With a topological polar surface area (TPSA) of 29.46 Ų, 3-Methoxyphenylthioethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyphenylthioethanol has 1 hydrogen bond donor(s) and 3 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-Methoxyphenylthioethanol?
The CAS number of 3-Methoxyphenylthioethanol is 13458-00-9.
What is the molecular formula of 3-Methoxyphenylthioethanol?
The molecular formula of 3-Methoxyphenylthioethanol is C9H12O2S.
What is the molecular weight of 3-Methoxyphenylthioethanol?
The molecular weight of 3-Methoxyphenylthioethanol is 184.06 g/mol.
Where can I buy 3-Methoxyphenylthioethanol?
You can request a quote for 3-Methoxyphenylthioethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyphenylthioethanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyphenylthioethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.