4-(Acetyloxy)-1-methylthian-1-ium iodide
TL;DR: 4-(Acetyloxy)-1-methylthian-1-ium iodide (CAS 58931-64-9) is a chemical compound with molecular formula C8H15IO2S and molecular weight 301.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylthian-1-ium-4-yl) acetate iodide
Also Known As: 4-(Acetyloxy)-1-methylthian-1-ium iodide, 4-Hydroxy-1-methylhexahydrothiopyrylium iodide acetate (ester), (1-methylthian-1-ium-4-yl) acetate iodide, Thiopyrylium, hexahydro-4-hydroxy-1-methyl-, iodide, acetate (ester), RefChem:1070016
| Molecular Formula | C8H15IO2S |
|---|---|
| Molecular Weight | 301.98 g/mol |
| LogP | -2.036 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.98376 |
| Heavy Atoms | 12 |
| Complexity | 143.99329 |
Chemical Identifiers
| CAS Number | 58931-64-9 |
|---|---|
| SMILES | CC(=O)OC1CC[S+](CC1)C.[I-] |
Product Overview
4-(Acetyloxy)-1-methylthian-1-ium iodide (CAS 58931-64-9), with molecular formula C8H15IO2S and molecular weight 301.98 g/mol. IUPAC: (1-methylthian-1-ium-4-yl) acetate iodide.
Chemical Property Profile of 4-(Acetyloxy)-1-methylthian-1-ium iodide
Property Insights of 4-(Acetyloxy)-1-methylthian-1-ium iodide
The XLogP value of -2.036 indicates that 4-(Acetyloxy)-1-methylthian-1-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(Acetyloxy)-1-methylthian-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Acetyloxy)-1-methylthian-1-ium iodide 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
Frequently Asked Questions
What is the CAS number of 4-(Acetyloxy)-1-methylthian-1-ium iodide?
The CAS number of 4-(Acetyloxy)-1-methylthian-1-ium iodide is 58931-64-9.
What is the molecular formula of 4-(Acetyloxy)-1-methylthian-1-ium iodide?
The molecular formula of 4-(Acetyloxy)-1-methylthian-1-ium iodide is C8H15IO2S.
What is the molecular weight of 4-(Acetyloxy)-1-methylthian-1-ium iodide?
The molecular weight of 4-(Acetyloxy)-1-methylthian-1-ium iodide is 301.98 g/mol.
Where can I buy 4-(Acetyloxy)-1-methylthian-1-ium iodide?
You can request a quote for 4-(Acetyloxy)-1-methylthian-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 4-(Acetyloxy)-1-methylthian-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetyloxy)-1-methylthian-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.