1-methyl-3-(methylthio)-1H-indole
TL;DR: 1-methyl-3-(methylthio)-1H-indole (CAS 116442-14-9) is a chemical compound with molecular formula C10H11NS and molecular weight 177.06122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-methylsulfanylindole
Also Known As: 1-methyl-3-(methylthio)-1H-indole, 1-methyl-3-methylsulfanylindole, 1-methyl-3-methylthioindole, 1-methyl-3-(methylsulfanyl)-1H-indole, LRPYKXTWLJNQFQ-UHFFFAOYSA-
Technical Specifications
| Molecular Formula | C10H11NS |
| Molecular Weight | 177.06122 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.06122 Da |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
| SMILES | CN1C=C(C2=CC=CC=C21)SC |
| InChIKey | LRPYKXTWLJNQFQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-methyl-3-(methylthio)-1H-indole
Property Insights of 1-methyl-3-(methylthio)-1H-indole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-(methylthio)-1H-indole. With a topological polar surface area (TPSA) of 30.2 Ų, 1-methyl-3-(methylthio)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-3-(methylthio)-1H-indole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-methyl-3-(methylthio)-1H-indole?
The CAS number of 1-methyl-3-(methylthio)-1H-indole is 116442-14-9.
What is the molecular formula of 1-methyl-3-(methylthio)-1H-indole?
The molecular formula of 1-methyl-3-(methylthio)-1H-indole is C10H11NS.
What is the molecular weight of 1-methyl-3-(methylthio)-1H-indole?
The molecular weight of 1-methyl-3-(methylthio)-1H-indole is 177.06122 g/mol.
Where can I buy 1-methyl-3-(methylthio)-1H-indole?
You can request a quote for 1-methyl-3-(methylthio)-1H-indole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-methyl-3-(methylthio)-1H-indole?
Yes, CoreyChem provides custom synthesis services for 1-methyl-3-(methylthio)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.