3-iodo-1-(methylsulfonyl)-1H-indole
TL;DR: 3-iodo-1-(methylsulfonyl)-1H-indole (CAS 117637-81-7) is a chemical compound with molecular formula C9H8INO2S and molecular weight 320.93204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-iodo-1-methylsulfonylindole
Also Known As: 3-iodo-1-methylsulfonylindole, 3-iodo-1-(methylsulfonyl)-1H-indole, 3-iodo-1-methanesulfonyl-1H-indole, 1-methylsulfonyl-3-iodoindole, 3-iodo-1-(methylsulfonyl)indole
Technical Specifications
| Molecular Formula | C9H8INO2S |
| Molecular Weight | 320.93204 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 47.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.93204 Da |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
| SMILES | CS(=O)(=O)N1C=C(C2=CC=CC=C21)I |
| InChIKey | HBPCGLIYYAOZIF-UHFFFAOYSA-N |
Chemical Property Profile of 3-iodo-1-(methylsulfonyl)-1H-indole
Property Insights of 3-iodo-1-(methylsulfonyl)-1H-indole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-iodo-1-(methylsulfonyl)-1H-indole. With a topological polar surface area (TPSA) of 47.5 Ų, 3-iodo-1-(methylsulfonyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-iodo-1-(methylsulfonyl)-1H-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
What is the CAS number of 3-iodo-1-(methylsulfonyl)-1H-indole?
The CAS number of 3-iodo-1-(methylsulfonyl)-1H-indole is 117637-81-7.
What is the molecular formula of 3-iodo-1-(methylsulfonyl)-1H-indole?
The molecular formula of 3-iodo-1-(methylsulfonyl)-1H-indole is C9H8INO2S.
What is the molecular weight of 3-iodo-1-(methylsulfonyl)-1H-indole?
The molecular weight of 3-iodo-1-(methylsulfonyl)-1H-indole is 320.93204 g/mol.
Where can I buy 3-iodo-1-(methylsulfonyl)-1H-indole?
You can request a quote for 3-iodo-1-(methylsulfonyl)-1H-indole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-iodo-1-(methylsulfonyl)-1H-indole?
Yes, CoreyChem provides custom synthesis services for 3-iodo-1-(methylsulfonyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.