N-Methyl-1-(methylthio)-2-nitroethenamine
TL;DR: N-Methyl-1-(methylthio)-2-nitroethenamine (CAS 55175-34-3) is a chemical compound with molecular formula C4H8N2O2S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-methyl-1-methylsulfanyl-2-nitroethenamine
Also Known As: N-Methyl-1-(methylthio)-2-nitroethenamine, Ranitidine EP Impurity K, Ranitidine Impurity K, Nizatidine impurity B, Ranitidine Impurity 11
| Molecular Formula | C4H8N2O2S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 0.6444 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.03065 |
| Heavy Atoms | 9 |
| Complexity | 128.52933 |
Chemical Identifiers
| CAS Number | 55175-34-3 |
|---|---|
| SMILES | CN/C(=C\[N+](=O)[O-])/SC |
Product Overview
N-Methyl-1-(methylthio)-2-nitroethenamine (CAS 55175-34-3), with molecular formula C4H8N2O2S and molecular weight 148.03 g/mol. IUPAC: (E)-N-methyl-1-methylsulfanyl-2-nitroethenamine.
Chemical Property Profile of N-Methyl-1-(methylthio)-2-nitroethenamine
Property Insights of N-Methyl-1-(methylthio)-2-nitroethenamine
The XLogP value of 0.6444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-1-(methylthio)-2-nitroethenamine. With a topological polar surface area (TPSA) of 55.17 Ų, N-Methyl-1-(methylthio)-2-nitroethenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-1-(methylthio)-2-nitroethenamine has 1 hydrogen bond donor(s) and 4 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 N-Methyl-1-(methylthio)-2-nitroethenamine?
The CAS number of N-Methyl-1-(methylthio)-2-nitroethenamine is 55175-34-3.
What is the molecular formula of N-Methyl-1-(methylthio)-2-nitroethenamine?
The molecular formula of N-Methyl-1-(methylthio)-2-nitroethenamine is C4H8N2O2S.
What is the molecular weight of N-Methyl-1-(methylthio)-2-nitroethenamine?
The molecular weight of N-Methyl-1-(methylthio)-2-nitroethenamine is 148.03 g/mol.
Where can I buy N-Methyl-1-(methylthio)-2-nitroethenamine?
You can request a quote for N-Methyl-1-(methylthio)-2-nitroethenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-1-(methylthio)-2-nitroethenamine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-1-(methylthio)-2-nitroethenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.