2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide
TL;DR: 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide (CAS 6276-13-7) is a chemical compound with molecular formula C10H13IOS and molecular weight 307.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-4-prop-2-enylsulfanylpyrylium iodide
Also Known As: Pyrylium,6-dimethyl-, iodide, 2,6-Dimethyl-4-allylmercaptopyrylium iodide, Pyrylium, 4-(allylthio)-2,6-dimethyl-, iodide, 2,6-Dimethyl-4-(allylmercapto)pyrylium iodide, 2,6-dimethyl-4-prop-2-enylsulfanylpyrylium iodide
| Molecular Formula | C10H13IOS |
|---|---|
| Molecular Weight | 307.97 g/mol |
| LogP | 0.45964 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.97318 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 6276-13-7 |
|---|---|
| SMILES | CC1=CC(=CC(=[O+]1)C)SCC=C.[I-] |
| InChIKey | ZFFGVICCFFUYJJ-UHFFFAOYSA-M |
Product Overview
2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide (CAS 6276-13-7), with molecular formula C10H13IOS and molecular weight 307.97 g/mol. IUPAC: 2,6-dimethyl-4-prop-2-enylsulfanylpyrylium iodide.
Chemical Property Profile of 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide
Property Insights of 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide
The XLogP value of 0.45964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-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 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide?
The CAS number of 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide is 6276-13-7.
What is the molecular formula of 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide?
The molecular formula of 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide is C10H13IOS.
What is the molecular weight of 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide?
The molecular weight of 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide is 307.97 g/mol.
Where can I buy 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide?
You can request a quote for 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-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 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-4-((prop-2-en-1-yl)sulfanyl)pyran-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.