1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride
TL;DR: 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride (CAS 68279-02-7) is a chemical compound with molecular formula C17H33ClN2S and molecular weight 332.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dodecylsulfanylmethyl)-3-methylimidazol-3-ium chloride
Also Known As: 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride, 1-(dodecylsulfanylmethyl)-3-methylimidazol-3-ium chloride, 1-METHYL-3-((DODECYLTHIO)METHYL)-1H-IMIDAZOLIUM*, 1-[(dodecylsulfanyl)methyl]-3-methyl-1H-imidazol-3-ium chloride
| Molecular Formula | C17H33ClN2S |
|---|---|
| Molecular Weight | 332.21 g/mol |
| LogP | 1.93 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 332.2053 |
| Heavy Atoms | 21 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 68279-02-7 |
|---|---|
| SMILES | CCCCCCCCCCCCSCN1C=C[N+](=C1)C.[Cl-] |
| InChIKey | BNKBJIGCZFFOEO-UHFFFAOYSA-M |
Product Overview
1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride (CAS 68279-02-7), with molecular formula C17H33ClN2S and molecular weight 332.21 g/mol. IUPAC: 1-(dodecylsulfanylmethyl)-3-methylimidazol-3-ium chloride.
Chemical Property Profile of 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride
Property Insights of 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride
The XLogP value of 1.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride. With a topological polar surface area (TPSA) of 34.1 Ų, 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride 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 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride?
The CAS number of 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride is 68279-02-7.
What is the molecular formula of 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride?
The molecular formula of 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride is C17H33ClN2S.
What is the molecular weight of 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride?
The molecular weight of 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride is 332.21 g/mol.
Where can I buy 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride?
You can request a quote for 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazolium, 3-((dodecylthio)methyl)-1-methyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.