N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine
TL;DR: N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine (CAS 66357-41-3) is a chemical compound with molecular formula C5H11N3O2S and molecular weight 177.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(methylamino)-2-nitroethenyl]amino]ethanethiol
Also Known As: Benzylidenemethylamine, Ranitidine Impurity 4, 2-{[1-(methylamino)-2-nitroethenyl]amino}ethanethiol, 2-[[1-(METHYLAMINO)-2-NITROETHENYL]AMINO]-ETHANETHIOL, 2-[[(E)-1-methylamino-2-nitro-ethenyl]amino]ethanethiol
| Molecular Formula | C5H11N3O2S |
|---|---|
| Molecular Weight | 177.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.0572 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 66357-41-3 |
|---|---|
| SMILES | CNC(=C[N+](=O)[O-])NCCS |
| InChIKey | JZCXCGRGVDXRDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine (CAS 66357-41-3), with molecular formula C5H11N3O2S and molecular weight 177.06 g/mol. IUPAC: 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanethiol.
Chemical Property Profile of N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine
Property Insights of N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine. Following Lipinski's Rule of Five, N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine has 3 hydrogen bond donor(s) and 5 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-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine?
The CAS number of N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine is 66357-41-3.
What is the molecular formula of N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine?
The molecular formula of N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine is C5H11N3O2S.
What is the molecular weight of N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine?
The molecular weight of N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine is 177.06 g/mol.
Where can I buy N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine?
You can request a quote for N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.