2-Methylthio-2-imidazoline hydroiodide
TL;DR: 2-Methylthio-2-imidazoline hydroiodide (CAS 20112-79-2) is a chemical compound with molecular formula C4H8N2S and molecular weight 116.04 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
Also Known As: 2-(methylthio)-2-imidazoline, 2-(methylthio)-4,5-dihydro-1H-imidazole, 2-methylthioimidazoline, 2-methylthio-2-imidazoline, 1h-imidazole, 4,5-dihydro-2-(methylthio)-
| Molecular Formula | C4H8N2S |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.04082 |
| Heavy Atoms | 7 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 20112-79-2 |
|---|---|
| SMILES | CSC1=NCCN1 |
| InChIKey | MTIMDGQILFWMJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylthio-2-imidazoline hydroiodide (CAS 20112-79-2), with molecular formula C4H8N2S and molecular weight 116.04 g/mol. IUPAC: 2-methylsulfanyl-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 2-Methylthio-2-imidazoline hydroiodide
Property Insights of 2-Methylthio-2-imidazoline hydroiodide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylthio-2-imidazoline hydroiodide. With a topological polar surface area (TPSA) of 49.7 Ų, 2-Methylthio-2-imidazoline hydroiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylthio-2-imidazoline hydroiodide has 1 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 2-Methylthio-2-imidazoline hydroiodide?
The CAS number of 2-Methylthio-2-imidazoline hydroiodide is 20112-79-2.
What is the molecular formula of 2-Methylthio-2-imidazoline hydroiodide?
The molecular formula of 2-Methylthio-2-imidazoline hydroiodide is C4H8N2S.
What is the molecular weight of 2-Methylthio-2-imidazoline hydroiodide?
The molecular weight of 2-Methylthio-2-imidazoline hydroiodide is 116.04 g/mol.
Where can I buy 2-Methylthio-2-imidazoline hydroiodide?
You can request a quote for 2-Methylthio-2-imidazoline hydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylthio-2-imidazoline hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylthio-2-imidazoline hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.