1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide
TL;DR: 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide (CAS 66392-38-9) is a chemical compound with molecular formula C12H13IN2S and molecular weight 343.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-2-ethenylsulfanyl-3-methylbenzimidazol-3-ium iodide
Also Known As: 3-Methyl-1-vinyl-2-(vinylthio)benzimidazolium iodide, N,S-Divinyl-2-mercaptobenzimidazole iodomethylate, Benzimidazolium, 3-methyl-1-vinyl-2-(vinylthio)-, iodide, 1H-Benzimidazolium, 1-ethenyl-2-(ethenylthio)-3-methyl-, iodide, 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide
| Molecular Formula | C12H13IN2S |
|---|---|
| Molecular Weight | 343.98 g/mol |
| LogP | -0.1941 |
| Topological Polar Surface Area | 8.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.9844 |
| Heavy Atoms | 16 |
| Complexity | 531.04346 |
Chemical Identifiers
| CAS Number | 66392-38-9 |
|---|---|
| SMILES | C[N+]1=C(N(C2=CC=CC=C21)C=C)SC=C.[I-] |
Product Overview
1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide (CAS 66392-38-9), with molecular formula C12H13IN2S and molecular weight 343.98 g/mol. IUPAC: 1-ethenyl-2-ethenylsulfanyl-3-methylbenzimidazol-3-ium iodide.
Chemical Property Profile of 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide
Property Insights of 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide
The XLogP value of -0.1941 indicates that 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.81 Ų, 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-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 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide?
The CAS number of 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide is 66392-38-9.
What is the molecular formula of 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide?
The molecular formula of 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide is C12H13IN2S.
What is the molecular weight of 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide?
The molecular weight of 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide is 343.98 g/mol.
Where can I buy 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide?
You can request a quote for 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethenyl-2-(ethenylsulfanyl)-3-methyl-1H-benzimidazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.