4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide
TL;DR: 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide (CAS 74332-95-9) is a chemical compound with molecular formula C14H15IOS and molecular weight 357.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-2,6-dimethylpyrylium iodide
Also Known As: 2,6-Dimethyl-4-benzylmercaptopyrylium iodide, Pyrylium, 4-benzylthio-2,6-dimethyl-, iodide, 4-benzylsulfanyl-2,6-dimethylpyrylium,iodide, 4-benzylsulfanyl-2,6-dimethylpyrylium iodide, Pyrylium,4-benzylthio-2,6-dimethyl-,iodide
| Molecular Formula | C14H15IOS |
|---|---|
| Molecular Weight | 357.99 g/mol |
| LogP | 1.47384 |
| Topological Polar Surface Area | 11.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.98883 |
| Heavy Atoms | 17 |
| Complexity | 450.65335 |
Chemical Identifiers
| CAS Number | 74332-95-9 |
|---|---|
| SMILES | CC1=CC(=CC(=[O+]1)C)SCC2=CC=CC=C2.[I-] |
Product Overview
4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide (CAS 74332-95-9), with molecular formula C14H15IOS and molecular weight 357.99 g/mol. IUPAC: 4-benzylsulfanyl-2,6-dimethylpyrylium iodide.
Chemical Property Profile of 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide
Property Insights of 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide
The XLogP value of 1.47384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide. With a topological polar surface area (TPSA) of 11.3 Ų, 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide has 0 hydrogen bond donor(s) and 1 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-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide?
The CAS number of 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide is 74332-95-9.
What is the molecular formula of 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide?
The molecular formula of 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide is C14H15IOS.
What is the molecular weight of 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide?
The molecular weight of 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide is 357.99 g/mol.
Where can I buy 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide?
You can request a quote for 4-(Benzylsulfanyl)-2,6-dimethylpyran-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-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.