1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde
TL;DR: 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde (CAS 105956-24-9) is a chemical compound with molecular formula C6H8N2OS and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-methylsulfanylimidazole-4-carbaldehyde
Also Known As: 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde, 1-methyl-2-(methylsulfanyl)-1H-imidazole-5-carbaldehyde, 3-methyl-2-methylsulfanylimidazole-4-carbaldehyde, 1H-imidazole-5-carboxaldehyde, 1-methyl-2-(methylthio)-, 3-methyl-2-methylsulfanyl-3H-imidazole-4-carbaldehyde
| Molecular Formula | C6H8N2OS |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.03574 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 105956-24-9 |
|---|---|
| SMILES | CN1C(=CN=C1SC)C=O |
| InChIKey | MAYWCNRSPBECQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde (CAS 105956-24-9), with molecular formula C6H8N2OS and molecular weight 156.04 g/mol. IUPAC: 3-methyl-2-methylsulfanylimidazole-4-carbaldehyde.
Chemical Property Profile of 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde
Property Insights of 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde. Following Lipinski's Rule of Five, 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde has 0 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 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde?
The CAS number of 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde is 105956-24-9.
What is the molecular formula of 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde?
The molecular formula of 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde is C6H8N2OS.
What is the molecular weight of 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde?
The molecular weight of 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde is 156.04 g/mol.
Where can I buy 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde?
You can request a quote for 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-2-(methylthio)-1H-imidazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.