2-(Dimethylaminomethyl)thiophenol
TL;DR: 2-(Dimethylaminomethyl)thiophenol (CAS 128457-54-5) is a chemical compound with molecular formula C9H13NS and molecular weight 167.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(dimethylamino)methyl]benzenethiol
Also Known As: 2-(dimethylaminomethyl)benzenethiol, 2-(dimethylaminomethyl)thiophenol, 2-[(dimethylamino)methyl]benzenethiol, 2-[(dimethylamino)methyl]benzene-1-thiol, J1.468.057H
| Molecular Formula | C9H13NS |
|---|---|
| Molecular Weight | 167.08 g/mol |
| LogP | 2.0369 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.07687 |
| Heavy Atoms | 11 |
| Complexity | 232.75928 |
Chemical Identifiers
| CAS Number | 128457-54-5 |
|---|---|
| SMILES | CN(C)CC1=CC=CC=C1S |
Product Overview
2-(Dimethylaminomethyl)thiophenol (CAS 128457-54-5), with molecular formula C9H13NS and molecular weight 167.08 g/mol. IUPAC: 2-[(dimethylamino)methyl]benzenethiol.
Chemical Property Profile of 2-(Dimethylaminomethyl)thiophenol
Property Insights of 2-(Dimethylaminomethyl)thiophenol
The XLogP value of 2.0369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylaminomethyl)thiophenol. With a topological polar surface area (TPSA) of 3.24 Ų, 2-(Dimethylaminomethyl)thiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylaminomethyl)thiophenol 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 2-(Dimethylaminomethyl)thiophenol?
The CAS number of 2-(Dimethylaminomethyl)thiophenol is 128457-54-5.
What is the molecular formula of 2-(Dimethylaminomethyl)thiophenol?
The molecular formula of 2-(Dimethylaminomethyl)thiophenol is C9H13NS.
What is the molecular weight of 2-(Dimethylaminomethyl)thiophenol?
The molecular weight of 2-(Dimethylaminomethyl)thiophenol is 167.08 g/mol.
Where can I buy 2-(Dimethylaminomethyl)thiophenol?
You can request a quote for 2-(Dimethylaminomethyl)thiophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylaminomethyl)thiophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylaminomethyl)thiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.