Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide
TL;DR: Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide (CAS 31007-50-8) is a chemical compound with molecular formula C12H26INS2 and molecular weight 375.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl-(dithiolan-4-yl)-methylazanium iodide
Also Known As: Dibutyl-1,2-dithiolan-4-ylmethylammonium iodide, AMMONIUM, DIBUTYL-1,2-DITHIOLAN-4-YLMETHYL-, IODIDE, dibutyl-(dithiolan-4-yl)-methylazanium iodide, N,N-Dibutyl-N-methyl-1,2-dithiolan-4-aminium iodide, RefChem:1076863
| Molecular Formula | C12H26INS2 |
|---|---|
| Molecular Weight | 375.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.05515 |
| Heavy Atoms | 16 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 31007-50-8 |
|---|---|
| SMILES | CCCC[N+](C)(CCCC)C1CSSC1.[I-] |
| InChIKey | DFGWBMQKBHIEIW-UHFFFAOYSA-M |
Product Overview
Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide (CAS 31007-50-8), with molecular formula C12H26INS2 and molecular weight 375.06 g/mol. IUPAC: dibutyl-(dithiolan-4-yl)-methylazanium iodide.
Chemical Property Profile of Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide
Property Insights of Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide. With a topological polar surface area (TPSA) of 50.6 Ų, Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, 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 Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide?
The CAS number of Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide is 31007-50-8.
What is the molecular formula of Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide?
The molecular formula of Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide is C12H26INS2.
What is the molecular weight of Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide?
The molecular weight of Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide is 375.06 g/mol.
Where can I buy Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide?
You can request a quote for Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, dibutyl-1,2-dithiolan-4-ylmethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.