2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione
TL;DR: 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione (CAS 42945-78-8) is a chemical compound with molecular formula C13H17NO2S and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-1-morpholin-4-ylethanethione
Also Known As: Benzimidavir, 4-methoxyphenylthioacetomorpholide, 4-[2-(4-methoxyphenyl)ethanethioyl]morpholine, 2-(4-methoxyphenyl)-1-morpholin-4-ylethanethione, TOS-BB-0603
| Molecular Formula | C13H17NO2S |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.098 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 42945-78-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(=S)N2CCOCC2 |
| InChIKey | XYZSOKXVIIHPFL-UHFFFAOYSA-N |
Product Overview
2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione (CAS 42945-78-8), with molecular formula C13H17NO2S and molecular weight 251.10 g/mol. IUPAC: 2-(4-methoxyphenyl)-1-morpholin-4-ylethanethione.
Chemical Property Profile of 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione
Property Insights of 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione. With a topological polar surface area (TPSA) of 53.8 Ų, 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione has 0 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 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione?
The CAS number of 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione is 42945-78-8.
What is the molecular formula of 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione?
The molecular formula of 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione is C13H17NO2S.
What is the molecular weight of 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione?
The molecular weight of 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione is 251.10 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione?
You can request a quote for 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-1-(morpholin-4-yl)ethane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.