Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate
TL;DR: Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate (CAS 57332-78-2) is a chemical compound with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
Also Known As: Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate, ethyl 5-methyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate, ethyl 4-methyl-2-sulfanyl-1H-imidazole-5-carboxylate, ethyl 5-methyl-2-sulfanyl-1H-imidazole-4-carboxylate, ethyl 5-methyl-2-thioxo-2,3-dihydro-1h-imidazole-4-carboxylate
| Molecular Formula | C7H10N2O2S |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 1.55741 |
| Topological Polar Surface Area | 57.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.0463 |
| Heavy Atoms | 12 |
| Complexity | 339.42072 |
Chemical Identifiers
| CAS Number | 57332-78-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)N1)C |
Product Overview
Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate (CAS 57332-78-2), with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol. IUPAC: ethyl 5-methyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate.
Chemical Property Profile of Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate
Property Insights of Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate
The XLogP value of 1.55741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate. With a topological polar surface area (TPSA) of 57.88 Ų, Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate has 2 hydrogen bond donor(s) and 3 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 Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate?
The CAS number of Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate is 57332-78-2.
What is the molecular formula of Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate?
The molecular formula of Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate is C7H10N2O2S.
What is the molecular weight of Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate?
The molecular weight of Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate is 186.05 g/mol.
Where can I buy Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate?
You can request a quote for Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-mercapto-4-methyl-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.