N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide
TL;DR: N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide (CAS 31007-48-4) is a chemical compound with molecular formula C8H18INS2 and molecular weight 318.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dithiolan-4-yl-diethyl-methylazanium iodide
Also Known As: 1,2-Dithiolan-4-yldiethylmethylammonium iodide, dithiolan-4-yl-diethyl-methylazanium iodide, AMMONIUM, 1,2-DITHIOLAN-4-YLDIETHYLMETHYL-, IODIDE, N,N-diethyl-N-methyl-1,2-dithiolan-4-aminium iodide, RefChem:1090480
| Molecular Formula | C8H18INS2 |
|---|---|
| Molecular Weight | 318.99 g/mol |
| LogP | -0.76 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.99255 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 31007-48-4 |
|---|---|
| SMILES | CC[N+](C)(CC)C1CSSC1.[I-] |
| InChIKey | VIFFHCVMOTXEQU-UHFFFAOYSA-M |
Product Overview
N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide (CAS 31007-48-4), with molecular formula C8H18INS2 and molecular weight 318.99 g/mol. IUPAC: dithiolan-4-yl-diethyl-methylazanium iodide.
Chemical Property Profile of N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide
Property Insights of N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide
The XLogP value of -0.76 indicates that N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.6 Ų, N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide 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 N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide?
The CAS number of N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide is 31007-48-4.
What is the molecular formula of N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide?
The molecular formula of N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide is C8H18INS2.
What is the molecular weight of N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide?
The molecular weight of N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide is 318.99 g/mol.
Where can I buy N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide?
You can request a quote for N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-N-methyl-1,2-dithiolan-4-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.