1-Methylthio-1-methylamino-2-nitroethylene
TL;DR: 1-Methylthio-1-methylamino-2-nitroethylene (CAS 1331637-53-6) is a chemical compound with molecular formula C4H8N2O2S and molecular weight 148.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-1-methylsulfanyl-2-nitroethenamine
Also Known As: NIzatidine EP Impurity B, N-Methyl-1-(methylthio)-2-nitroethenamine, 1-Methylthio-1-methylamino-2-nitroethylene, Ethenamine, N-methyl-1-(methylthio)-2-nitro-, N-Methyl-1-(methylthio)-2-nitroethylen-1-amine
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8N2O2S |
| Molecular Weight | 148.03065 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.03065 Da |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
| SMILES | CNC(=C[N+](=O)[O-])SC |
| InChIKey | YQFHPXZGXNYYLD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methylthio-1-methylamino-2-nitroethylene
Property Insights of 1-Methylthio-1-methylamino-2-nitroethylene
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylthio-1-methylamino-2-nitroethylene. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylthio-1-methylamino-2-nitroethylene. Following Lipinski's Rule of Five, 1-Methylthio-1-methylamino-2-nitroethylene 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
What is the CAS number of 1-Methylthio-1-methylamino-2-nitroethylene?
The CAS number of 1-Methylthio-1-methylamino-2-nitroethylene is 1331637-53-6.
What is the molecular formula of 1-Methylthio-1-methylamino-2-nitroethylene?
The molecular formula of 1-Methylthio-1-methylamino-2-nitroethylene is C4H8N2O2S.
What is the molecular weight of 1-Methylthio-1-methylamino-2-nitroethylene?
The molecular weight of 1-Methylthio-1-methylamino-2-nitroethylene is 148.03065 g/mol.
Where can I buy 1-Methylthio-1-methylamino-2-nitroethylene?
You can request a quote for 1-Methylthio-1-methylamino-2-nitroethylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylthio-1-methylamino-2-nitroethylene?
Yes, CoreyChem provides custom synthesis services for 1-Methylthio-1-methylamino-2-nitroethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.