Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate
TL;DR: Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate (CAS 666702-68-7) is a chemical compound with molecular formula C10H7N3O2S and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,2-dicyanoethenylamino)thiophene-2-carboxylate
Also Known As: METHYL 3-((2,2-DICYANOVINYL)AMINO)THIOPHENE-2-CARBOXYLATE, methyl 3-(2,2-dicyanoethenylamino)thiophene-2-carboxylate, methyl 3-(2,2-dicyanovinylamino)thiophene-2-carboxylate, methyl 3-[(2,2-dicyanoeth-1-en-1-yl)amino]thiophene-2-carboxylate
| Molecular Formula | C10H7N3O2S |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 1.87766 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0259 |
| Heavy Atoms | 16 |
| Complexity | 488.8692 |
Chemical Identifiers
| CAS Number | 666702-68-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)NC=C(C#N)C#N |
Product Overview
Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate (CAS 666702-68-7), with molecular formula C10H7N3O2S and molecular weight 233.03 g/mol. IUPAC: methyl 3-(2,2-dicyanoethenylamino)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate
Property Insights of Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate
The XLogP value of 1.87766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate 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 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate?
The CAS number of Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate is 666702-68-7.
What is the molecular formula of Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate?
The molecular formula of Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate is C10H7N3O2S.
What is the molecular weight of Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate?
The molecular weight of Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate is 233.03 g/mol.
Where can I buy Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate?
You can request a quote for Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((2,2-dicyanovinyl)amino)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.