3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole
TL;DR: 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole (CAS 54921-44-7) is a chemical compound with molecular formula C12H13NS2 and molecular weight 235.04893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methyl-1,3-dithiolan-2-yl)-1H-indole
Also Known As: 3-(2-methyl-1,3-dithiolan-2-yl)-1H-indole, 3-(2-Methyl-1,3-dithiolan-2-yl)indole, INDOLE, 3-(2-METHYL-1,3-DITHIOLAN-2-YL)-, 1H-Indole, 3-(2-methyl-1,3-dithiolan-2-yl)-, 2-(3-INDOLYL)-2-METHYL-1,3-DITHIOLANE
Technical Specifications
| Molecular Formula | C12H13NS2 |
| Molecular Weight | 235.04893 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.04893 Da |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
| SMILES | CC1(SCCS1)C2=CNC3=CC=CC=C32 |
| InChIKey | TVPVFCFPZXJBGP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole
Property Insights of 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole
The XLogP value of 3.4 indicates that 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole. Following Lipinski's Rule of Five, 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole 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
What is the CAS number of 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole?
The CAS number of 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole is 54921-44-7.
What is the molecular formula of 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole?
The molecular formula of 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole is C12H13NS2.
What is the molecular weight of 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole?
The molecular weight of 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole is 235.04893 g/mol.
Where can I buy 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole?
You can request a quote for 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.