![1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide structure](/static/products/5664/56646-10-7.webp)
1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide
TL;DR: 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide (CAS 56646-10-7) is a chemical compound with molecular formula C14H17IN2S and molecular weight 372.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyrrolidin-1-ium-1-ylidenemethylsulfanylmethyl)-1H-indole iodide
Also Known As: KST-1B5690, 1-{[(1h-indol-3-ylmethyl)sulfanyl]methylidene}pyrrolidiniumiodide, Pyrrolidinium, 1-(3-indolyl(methylthio)methylene)-, iodide, 3-(pyrrolidin-1-ium-1-ylidenemethylsulfanylmethyl)-1H-indole iodide, (Indolyl-3')-1 methylthio-1 pyrrolidiniminium-1 methane (iodure) [French]
| Molecular Formula | C14H17IN2S |
|---|---|
| Molecular Weight | 372.02 g/mol |
| LogP | 0.24 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.01572 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 56646-10-7 |
|---|---|
| SMILES | C1CC[N+](=CSCC2=CNC3=CC=CC=C32)C1.[I-] |
| InChIKey | NWRNHXWDEGOKEN-UHFFFAOYSA-M |
Product Overview
1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide (CAS 56646-10-7), with molecular formula C14H17IN2S and molecular weight 372.02 g/mol. IUPAC: 3-(pyrrolidin-1-ium-1-ylidenemethylsulfanylmethyl)-1H-indole iodide.
Chemical Property Profile of 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide
Property Insights of 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide. With a topological polar surface area (TPSA) of 44.1 Ų, 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide 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
Frequently Asked Questions
What is the CAS number of 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide?
The CAS number of 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide is 56646-10-7.
What is the molecular formula of 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide?
The molecular formula of 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide is C14H17IN2S.
What is the molecular weight of 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide?
The molecular weight of 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide is 372.02 g/mol.
Where can I buy 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide?
You can request a quote for 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-({[(1H-Indol-3-yl)methyl]sulfanyl}methylidene)pyrrolidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.