![Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate structure](/static/products/892/892272-58-1.png)
Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate
TL;DR: Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate (CAS 892272-58-1) is a chemical compound with molecular formula C11H13N3O2S2 and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-cyanoethyl(methyl)carbamothioyl]amino]thiophene-2-carboxylate
Also Known As: ChemDiv3_008239, IDI1_026149, methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate, BRD-K21079502-001-01-5, methyl 3-[[2-cyanoethyl(methyl)carbamothioyl]amino]thiophene-2-carboxylate
| Molecular Formula | C11H13N3O2S2 |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 2.07698 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.04492 |
| Heavy Atoms | 18 |
| Complexity | 478.87802 |
Chemical Identifiers
| CAS Number | 892272-58-1 |
|---|---|
| SMILES | CN(CCC#N)C(=S)NC1=C(SC=C1)C(=O)OC |
Product Overview
Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate (CAS 892272-58-1), with molecular formula C11H13N3O2S2 and molecular weight 283.04 g/mol. IUPAC: methyl 3-[[2-cyanoethyl(methyl)carbamothioyl]amino]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate
Property Insights of Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate
The XLogP value of 2.07698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate has 1 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 Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate?
The CAS number of Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate is 892272-58-1.
What is the molecular formula of Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate?
The molecular formula of Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate is C11H13N3O2S2.
What is the molecular weight of Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate?
The molecular weight of Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate is 283.04 g/mol.
Where can I buy Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate?
You can request a quote for Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]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-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(2-cyanoethyl)(methyl)carbamothioyl]amino}thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.