![2-(Methylthio)benzo[cd]indole structure](/static/products/2254/22546-91-4.webp)
2-(Methylthio)benzo[cd]indole
TL;DR: 2-(Methylthio)benzo[cd]indole (CAS 22546-91-4) is a chemical compound with molecular formula C12H9NS and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylbenzo[cd]indole
Also Known As: 2-(Methylthio)benzo[cd]indole, 2-methylsulfanylbenzo[cd]indole
| Molecular Formula | C12H9NS |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 3.5945 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.04558 |
| Heavy Atoms | 14 |
| Complexity | 537.76306 |
Chemical Identifiers
| CAS Number | 22546-91-4 |
|---|---|
| SMILES | CSC1=NC2=CC=CC3=C2C1=CC=C3 |
Product Overview
2-(Methylthio)benzo[cd]indole (CAS 22546-91-4), with molecular formula C12H9NS and molecular weight 199.05 g/mol. IUPAC: 2-methylsulfanylbenzo[cd]indole.
Chemical Property Profile of 2-(Methylthio)benzo[cd]indole
Property Insights of 2-(Methylthio)benzo[cd]indole
The XLogP value of 3.5945 indicates that 2-(Methylthio)benzo[cd]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 2-(Methylthio)benzo[cd]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)benzo[cd]indole has 0 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-(Methylthio)benzo[cd]indole?
The CAS number of 2-(Methylthio)benzo[cd]indole is 22546-91-4.
What is the molecular formula of 2-(Methylthio)benzo[cd]indole?
The molecular formula of 2-(Methylthio)benzo[cd]indole is C12H9NS.
What is the molecular weight of 2-(Methylthio)benzo[cd]indole?
The molecular weight of 2-(Methylthio)benzo[cd]indole is 199.05 g/mol.
Where can I buy 2-(Methylthio)benzo[cd]indole?
You can request a quote for 2-(Methylthio)benzo[cd]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)benzo[cd]indole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)benzo[cd]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.