4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole
TL;DR: 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole (CAS 38585-67-0) is a chemical compound with molecular formula C7H13N3S and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine
Also Known As: Cimetidine EP Impurity J, 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole, EINECS 254-022-2, 2199AE, 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine
| Molecular Formula | C7H13N3S |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.08302 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 38585-67-0 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCN |
| InChIKey | JEOZNMMOIBLWLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole (CAS 38585-67-0), with molecular formula C7H13N3S and molecular weight 171.08 g/mol. IUPAC: 2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethanamine.
Chemical Property Profile of 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole
Property Insights of 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole
The XLogP value of -0.1 indicates that 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole. Following Lipinski's Rule of Five, 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole has 2 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-(((2-Aminoethyl)thio)methyl)-5-methylimidazole?
The CAS number of 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole is 38585-67-0.
What is the molecular formula of 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole?
The molecular formula of 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole is C7H13N3S.
What is the molecular weight of 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole?
The molecular weight of 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole is 171.08 g/mol.
Where can I buy 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole?
You can request a quote for 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(((2-Aminoethyl)thio)methyl)-5-methylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.