1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride
TL;DR: 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride (CAS 78865-83-5) is a chemical compound with molecular formula C15H29ClN2S and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(decylsulfanylmethyl)-3-methylimidazol-3-ium chloride
Also Known As: IPO 4580, N-Methyl-N'-decylthiomethylimidazolyl chloride, 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride, 1H-IMIDAZOLIUM, 1-((DECYLTHIO)METHYL)-3-METHYL-, CHLORIDE, 1-(decylsulfanylmethyl)-3-methylimidazol-3-ium chloride
| Molecular Formula | C15H29ClN2S |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 1.15 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 304.174 |
| Heavy Atoms | 19 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 78865-83-5 |
|---|---|
| SMILES | CCCCCCCCCCSCN1C=C[N+](=C1)C.[Cl-] |
| InChIKey | VMMIAWVAQJZGDW-UHFFFAOYSA-M |
Product Overview
1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride (CAS 78865-83-5), with molecular formula C15H29ClN2S and molecular weight 304.17 g/mol. IUPAC: 1-(decylsulfanylmethyl)-3-methylimidazol-3-ium chloride.
Chemical Property Profile of 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride
Property Insights of 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride
The XLogP value of 1.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride. With a topological polar surface area (TPSA) of 34.1 Ų, 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((Decylthio)methyl)-3-methyl-1H-imidazolium 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 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride?
The CAS number of 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride is 78865-83-5.
What is the molecular formula of 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride?
The molecular formula of 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride is C15H29ClN2S.
What is the molecular weight of 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride?
The molecular weight of 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride is 304.17 g/mol.
Where can I buy 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride?
You can request a quote for 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-((Decylthio)methyl)-3-methyl-1H-imidazolium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.