![Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate structure](/static/products/124/124475-99-6.png)
Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate
TL;DR: Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate (CAS 124475-99-6) is a chemical compound with molecular formula C8H9N3O2S and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate
Also Known As: methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate, Methyl 2-[(2,2-dicyano-1-methylsulfanyl-ethenyl)amino]acetate, methyl N-(2,2-dicyano-1-(methylthio)vinyl)glycinate (en)Glyc
| Molecular Formula | C8H9N3O2S |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 0.37076 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.04155 |
| Heavy Atoms | 14 |
| Complexity | 308.45856 |
Chemical Identifiers
| CAS Number | 124475-99-6 |
|---|---|
| SMILES | COC(=O)CNC(=C(C#N)C#N)SC |
Product Overview
Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate (CAS 124475-99-6), with molecular formula C8H9N3O2S and molecular weight 211.04 g/mol. IUPAC: methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate.
Chemical Property Profile of Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate
Property Insights of Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate
The XLogP value of 0.37076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate. Following Lipinski's Rule of Five, Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate has 1 hydrogen bond donor(s) and 6 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 Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate?
The CAS number of Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate is 124475-99-6.
What is the molecular formula of Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate?
The molecular formula of Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate is C8H9N3O2S.
What is the molecular weight of Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate?
The molecular weight of Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate is 211.04 g/mol.
Where can I buy Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate?
You can request a quote for Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2,2-dicyano-1-methylsulfanylethenyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.