4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide
TL;DR: 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide (CAS 40241-78-9) is a chemical compound with molecular formula C4H9BrN2S and molecular weight 195.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
Also Known As: 2-(methylthio)-4,5-dihydro-1H-imidazole hydrobromide, EINECS 254-854-6, 2-methylthio-2-imidazoline, bromide, 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide, 2-methylthio-2-imidazoline hydrobromide
| Molecular Formula | C4H9BrN2S |
|---|---|
| Molecular Weight | 195.97 g/mol |
| LogP | 0.8865 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.96698 |
| Heavy Atoms | 8 |
| Complexity | 94.0391 |
Chemical Identifiers
| CAS Number | 40241-78-9 |
|---|---|
| SMILES | CSC1=NCCN1.Br |
Product Overview
4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide (CAS 40241-78-9), with molecular formula C4H9BrN2S and molecular weight 195.97 g/mol. IUPAC: 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide.
Chemical Property Profile of 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide
Property Insights of 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide
The XLogP value of 0.8865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide. With a topological polar surface area (TPSA) of 24.39 Ų, 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide has 1 hydrogen bond donor(s) and 3 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 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide?
The CAS number of 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide is 40241-78-9.
What is the molecular formula of 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide?
The molecular formula of 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide is C4H9BrN2S.
What is the molecular weight of 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide?
The molecular weight of 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide is 195.97 g/mol.
Where can I buy 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide?
You can request a quote for 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-2-(methylthio)-1H-imidazole monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.