2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride
TL;DR: 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride (CAS 1049719-96-1) is a chemical compound with molecular formula C12H18ClN5S2 and molecular weight 331.0692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-methylsulfanylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
Also Known As: 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride, N-[(4-methylsulfanylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride, N-[(4-methylsulfanylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine Hydrochloride
Technical Specifications
| Molecular Formula | C12H18ClN5S2 |
| Molecular Weight | 331.0692 g/mol |
| XLogP | 2.2357 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.0692 Da |
| Heavy Atoms | 20 |
| Complexity | 248.0 |
| SMILES | CN1C(=NN=N1)SCCNCC2=CC=C(C=C2)SC.Cl |
| InChIKey | MMRGBZQCRKYPIU-UHFFFAOYSA-N |
Chemical Property Profile of 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride
Property Insights of 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride
The XLogP value of 2.2357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride. Following Lipinski's Rule of Five, 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)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.
Frequently Asked Questions
What is the CAS number of 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride?
The CAS number of 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride is 1049719-96-1.
What is the molecular formula of 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride?
The molecular formula of 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride is C12H18ClN5S2.
What is the molecular weight of 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride?
The molecular weight of 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride is 331.0692 g/mol.
Where can I buy 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride?
You can request a quote for 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride?
Yes, CoreyChem provides custom synthesis services for 2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(4-(methylthio)benzyl)ethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.