2-((4-(Methylthio)benzyl)amino)ethanol
TL;DR: 2-((4-(Methylthio)benzyl)amino)ethanol (CAS 774556-23-9) is a chemical compound with molecular formula C10H15NOS and molecular weight 197.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylsulfanylphenyl)methylamino]ethanol
Also Known As: 2-((4-(METHYLTHIO)BENZYL)AMINO)ETHANOL, 2-{[4-(methylthio)benzyl]amino}ethanol, 2-[(4-methylsulfanylphenyl)methylamino]ethanol, 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol, 2-{[4-(methylsulfanyl)benzyl]amino}ethanol
| Molecular Formula | C10H15NOS |
|---|---|
| Molecular Weight | 197.09 g/mol |
| LogP | 1.4904 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.08743 |
| Heavy Atoms | 13 |
| Complexity | 235.185 |
Chemical Identifiers
| CAS Number | 774556-23-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CNCCO |
Product Overview
2-((4-(Methylthio)benzyl)amino)ethanol (CAS 774556-23-9), with molecular formula C10H15NOS and molecular weight 197.09 g/mol. IUPAC: 2-[(4-methylsulfanylphenyl)methylamino]ethanol.
Chemical Property Profile of 2-((4-(Methylthio)benzyl)amino)ethanol
Property Insights of 2-((4-(Methylthio)benzyl)amino)ethanol
The XLogP value of 1.4904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(Methylthio)benzyl)amino)ethanol. With a topological polar surface area (TPSA) of 32.26 Ų, 2-((4-(Methylthio)benzyl)amino)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-(Methylthio)benzyl)amino)ethanol has 2 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-(Methylthio)benzyl)amino)ethanol?
The CAS number of 2-((4-(Methylthio)benzyl)amino)ethanol is 774556-23-9.
What is the molecular formula of 2-((4-(Methylthio)benzyl)amino)ethanol?
The molecular formula of 2-((4-(Methylthio)benzyl)amino)ethanol is C10H15NOS.
What is the molecular weight of 2-((4-(Methylthio)benzyl)amino)ethanol?
The molecular weight of 2-((4-(Methylthio)benzyl)amino)ethanol is 197.09 g/mol.
Where can I buy 2-((4-(Methylthio)benzyl)amino)ethanol?
You can request a quote for 2-((4-(Methylthio)benzyl)amino)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-(Methylthio)benzyl)amino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(Methylthio)benzyl)amino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.