N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride (CAS 1049700-87-9) is a chemical compound with molecular formula C12H16ClN5O2S and molecular weight 329.07132 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride, N-(benzo[1,3]dioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine Hydrochloride, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
Technical Specifications
| Molecular Formula | C12H16ClN5O2S |
| Molecular Weight | 329.07132 g/mol |
| XLogP | 1.2425 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.07132 Da |
| Heavy Atoms | 21 |
| Complexity | 312.0 |
| SMILES | CN1C(=NN=N1)SCCNCC2=CC3=C(C=C2)OCO3.Cl |
| InChIKey | FDAQCMXFOGGWOL-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride
The XLogP value of 1.2425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride is 1049700-87-9.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride is C12H16ClN5O2S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride is 329.07132 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride?
Yes, CoreyChem provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.