4-(Methylthio)cinnoline
TL;DR: 4-(Methylthio)cinnoline (CAS 20736-25-8) is a chemical compound with molecular formula C9H8N2S and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanylcinnoline
Also Known As: 4-(Methylthio)cinnoline, 4-methylsulfanylcinnoline, 4-methylthiocinnolin, 4-Methylmercapto-cinnolin, cinnoline, 4-methylthio-
| Molecular Formula | C9H8N2S |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04082 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 20736-25-8 |
|---|---|
| SMILES | CSC1=CN=NC2=CC=CC=C21 |
| InChIKey | ZZCPXQKWVPJNSJ-UHFFFAOYSA-N |
Product Overview
4-(Methylthio)cinnoline (CAS 20736-25-8), with molecular formula C9H8N2S and molecular weight 176.04 g/mol. IUPAC: 4-methylsulfanylcinnoline.
Chemical Property Profile of 4-(Methylthio)cinnoline
Property Insights of 4-(Methylthio)cinnoline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthio)cinnoline. With a topological polar surface area (TPSA) of 51.1 Ų, 4-(Methylthio)cinnoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthio)cinnoline 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 4-(Methylthio)cinnoline?
The CAS number of 4-(Methylthio)cinnoline is 20736-25-8.
What is the molecular formula of 4-(Methylthio)cinnoline?
The molecular formula of 4-(Methylthio)cinnoline is C9H8N2S.
What is the molecular weight of 4-(Methylthio)cinnoline?
The molecular weight of 4-(Methylthio)cinnoline is 176.04 g/mol.
Where can I buy 4-(Methylthio)cinnoline?
You can request a quote for 4-(Methylthio)cinnoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthio)cinnoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)cinnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.