2-(methylsulfanyl)-1H-imidazole
TL;DR: 2-(methylsulfanyl)-1H-imidazole (CAS 20532-28-9) is a chemical compound with molecular formula CSC1=NC=CN1 and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1H-imidazole
Also Known As: 2-(Methylthio)imidazole, 2-(methylsulfanyl)-1H-imidazole, 2-(Methylthio)-1H-imidazole, 2-methylthio-imidazole, Hexacontane
| Molecular Formula | CSC1=NC=CN1 |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.02517 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 20532-28-9 |
|---|---|
| SMILES | CSC1=NC=CN1 |
| InChIKey | SVOCLWUDDWXHFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(methylsulfanyl)-1H-imidazole (CAS 20532-28-9), with molecular formula CSC1=NC=CN1 and molecular weight 114.03 g/mol. IUPAC: 2-methylsulfanyl-1H-imidazole.
Chemical Property Profile of 2-(methylsulfanyl)-1H-imidazole
Property Insights of 2-(methylsulfanyl)-1H-imidazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(methylsulfanyl)-1H-imidazole. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(methylsulfanyl)-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(methylsulfanyl)-1H-imidazole 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-(methylsulfanyl)-1H-imidazole?
The CAS number of 2-(methylsulfanyl)-1H-imidazole is 20532-28-9.
What is the molecular formula of 2-(methylsulfanyl)-1H-imidazole?
The molecular formula of 2-(methylsulfanyl)-1H-imidazole is CSC1=NC=CN1.
What is the molecular weight of 2-(methylsulfanyl)-1H-imidazole?
The molecular weight of 2-(methylsulfanyl)-1H-imidazole is 114.03 g/mol.
Where can I buy 2-(methylsulfanyl)-1H-imidazole?
You can request a quote for 2-(methylsulfanyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(methylsulfanyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(methylsulfanyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.