TL;DR: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamine Hydrochloride (CAS 1050209-00-1) is a chemical compound with molecular formula C15H17ClN6S and molecular weight 348.0924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
Also Known As: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamine Hydrochloride, {2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl}(pyridin-3-ylmethyl)amine hydrochloride, 2-((1-phenyl-1H-tetrazol-5-yl)thio)-N-(pyridin-3-ylmethyl)ethanamine hydrochloride
| Molecular Formula | C15H17ClN6S |
| Molecular Weight | 348.0924 g/mol |
| XLogP | 2.361 |
| Topological Polar Surface Area (TPSA) | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.0924 Da |
| Heavy Atoms | 23 |
| Complexity | 312.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCCNCC3=CN=CC=C3.Cl |
| InChIKey | PLZCSQDUFPCWGF-UHFFFAOYSA-N |
The XLogP value of 2.361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamine Hydrochloride. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamine Hydrochloride. Following Lipinski's Rule of Five, 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamine Hydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamine Hydrochloride is 1050209-00-1.
The molecular formula of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamine Hydrochloride is C15H17ClN6S.
The molecular weight of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)ethanamine Hydrochloride is 348.0924 g/mol.
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