TL;DR: 2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine (CAS 142313-55-1) is a chemical compound with molecular formula C6H11N3S and molecular weight 157.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-methylimidazol-2-yl)sulfanylethanamine
Also Known As: 2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine, 2-[(2-aminoethyl)sulfanyl]-1-methyl-1H-imidazole, 2-((1-Methyl-1H-imidazol-2-yl)thio)ethanamine, 2-(1-methylimidazol-2-yl)sulfanylethanamine, aminoethylsulfanylmethylimidazole
| Molecular Formula | C6H11N3S |
| Molecular Weight | 157.06737 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.06737 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| SMILES | CN1C=CN=C1SCCN |
| InChIKey | VEUQTALDNNAJHS-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that 2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine. Following Lipinski's Rule of Five, 2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine is 142313-55-1.
The molecular formula of 2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine is C6H11N3S.
The molecular weight of 2-[(1-methyl-1H-imidazol-2-yl)thio]ethanamine is 157.06737 g/mol.
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