1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide
TL;DR: 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide (CAS 31007-55-3) is a chemical compound with molecular formula C10H20INS2 and molecular weight 345.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dithiolan-4-yl)-1-methylazepan-1-ium iodide
Also Known As: 4-Hexamethyleneimino-1,2-dithiolane methiodide, 1-(dithiolan-4-yl)-1-methylazepan-1-ium iodide, 1-(1,2-Dithiolan-4-yl)-1-methylhexahydro-1H-azepinium iodide, 1H-Azepine, hexahydro-1-(1,2-dithiolan-4-yl)-, methiodide, 1H-AZEPINIUM, HEXAHYDRO-1-(1,2-DITHIOLAN-4-YL)-1-METHYL-, IODIDE
| Molecular Formula | C10H20INS2 |
|---|---|
| Molecular Weight | 345.01 g/mol |
| LogP | -0.23 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.00818 |
| Heavy Atoms | 14 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 31007-55-3 |
|---|---|
| SMILES | C[N+]1(CCCCCC1)C2CSSC2.[I-] |
| InChIKey | GIOKSNLMSYGZIQ-UHFFFAOYSA-M |
Product Overview
1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide (CAS 31007-55-3), with molecular formula C10H20INS2 and molecular weight 345.01 g/mol. IUPAC: 1-(dithiolan-4-yl)-1-methylazepan-1-ium iodide.
Chemical Property Profile of 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide
Property Insights of 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide
The XLogP value of -0.23 indicates that 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, 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, 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, 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 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide?
The CAS number of 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide is 31007-55-3.
What is the molecular formula of 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide?
The molecular formula of 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide is C10H20INS2.
What is the molecular weight of 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide?
The molecular weight of 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide is 345.01 g/mol.
Where can I buy 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide?
You can request a quote for 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.