3-methyl-1-vinyl-1H-imidazolium methyl sulphate
TL;DR: 3-methyl-1-vinyl-1H-imidazolium methyl sulphate (CAS 5661-55-2) is a chemical compound with molecular formula C7H12N2O4S and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-3-methylimidazol-3-ium;methyl sulfate
Also Known As: 3-Methyl-1-vinyl-1H-imidazolium methyl sulphate, 97% mix TBC as stabilizer, 1H-Imidazolium, 3-ethenyl-1-methyl-, methyl sulfate (1:1), 1-ethenyl-3-methyl-1h-imidazol-3-ium methyl sulfate, 1-allyl-3-methylimidazolium acetate
| Molecular Formula | C7H12N2O4S |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | -0.4939 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.05177 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 5661-55-2 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)C=C.COS(=O)(=O)[O-] |
| InChIKey | BZVFPIHTRLNAQA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-methyl-1-vinyl-1H-imidazolium methyl sulphate (CAS 5661-55-2), with molecular formula C7H12N2O4S and molecular weight 220.05 g/mol. IUPAC: 1-ethenyl-3-methylimidazol-3-ium;methyl sulfate.
Chemical Property Profile of 3-methyl-1-vinyl-1H-imidazolium methyl sulphate
Property Insights of 3-methyl-1-vinyl-1H-imidazolium methyl sulphate
The XLogP value of -0.4939 indicates that 3-methyl-1-vinyl-1H-imidazolium methyl sulphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-vinyl-1H-imidazolium methyl sulphate. Following Lipinski's Rule of Five, 3-methyl-1-vinyl-1H-imidazolium methyl sulphate has 0 hydrogen bond donor(s) and 4 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 3-methyl-1-vinyl-1H-imidazolium methyl sulphate?
The CAS number of 3-methyl-1-vinyl-1H-imidazolium methyl sulphate is 5661-55-2.
What is the molecular formula of 3-methyl-1-vinyl-1H-imidazolium methyl sulphate?
The molecular formula of 3-methyl-1-vinyl-1H-imidazolium methyl sulphate is C7H12N2O4S.
What is the molecular weight of 3-methyl-1-vinyl-1H-imidazolium methyl sulphate?
The molecular weight of 3-methyl-1-vinyl-1H-imidazolium methyl sulphate is 220.05 g/mol.
Where can I buy 3-methyl-1-vinyl-1H-imidazolium methyl sulphate?
You can request a quote for 3-methyl-1-vinyl-1H-imidazolium methyl sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-vinyl-1H-imidazolium methyl sulphate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-vinyl-1H-imidazolium methyl sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.