Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate
TL;DR: Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate (CAS 1084-16-8) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate
Also Known As: diethyl 2-mercapto-1-methylimidazole-4,5-dicarboxylate, diethyl 3-methyl-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate, 1H-Imidazo(4,5-d)pyridazine-4,7-diol,2-mercapto-1-methyl, 1H-Imidazole-4,5-dicarboxylicacid, 2,3-dihydro-1-methyl-2-thioxo-, 4,5-diethyl ester, Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.43609 |
| Topological Polar Surface Area | 73.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 488.9856 |
Chemical Identifiers
| CAS Number | 1084-16-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)N1)C)C(=O)OCC |
Product Overview
Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate (CAS 1084-16-8), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: diethyl 3-methyl-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate.
Chemical Property Profile of Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate
Property Insights of Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate
The XLogP value of 1.43609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate. The TPSA of 73.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate 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 Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate?
The CAS number of Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate is 1084-16-8.
What is the molecular formula of Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate?
The molecular formula of Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate is C10H14N2O4S.
What is the molecular weight of Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate?
The molecular weight of Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate is 258.07 g/mol.
Where can I buy Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate?
You can request a quote for Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.