ethyl 2-sulfanyl-1H-imidazole-4-carboxylate
TL;DR: ethyl 2-sulfanyl-1H-imidazole-4-carboxylate (CAS 64038-64-8) is a chemical compound with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
Also Known As: ethyl 2-mercapto-1h-imidazole-4-carboxylate, 4-Ethoxycarbonylimidazole-2-thiol, USAF EL-63, 2-Mercapto-5-carbethoxyimidazole, Maybridge1_005066
| Molecular Formula | C6H8N2O2S |
|---|---|
| Molecular Weight | 172.03 g/mol |
| LogP | 1.24899 |
| Topological Polar Surface Area | 57.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03065 |
| Heavy Atoms | 11 |
| Complexity | 301.53098 |
Chemical Identifiers
| CAS Number | 64038-64-8 |
|---|---|
| SMILES | CCOC(=O)C1=CNC(=S)N1 |
Product Overview
ethyl 2-sulfanyl-1H-imidazole-4-carboxylate (CAS 64038-64-8), with molecular formula C6H8N2O2S and molecular weight 172.03 g/mol. IUPAC: ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate.
Chemical Property Profile of ethyl 2-sulfanyl-1H-imidazole-4-carboxylate
Property Insights of ethyl 2-sulfanyl-1H-imidazole-4-carboxylate
The XLogP value of 1.24899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-sulfanyl-1H-imidazole-4-carboxylate. With a topological polar surface area (TPSA) of 57.88 Ų, ethyl 2-sulfanyl-1H-imidazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-sulfanyl-1H-imidazole-4-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-sulfanyl-1H-imidazole-4-carboxylate?
The CAS number of ethyl 2-sulfanyl-1H-imidazole-4-carboxylate is 64038-64-8.
What is the molecular formula of ethyl 2-sulfanyl-1H-imidazole-4-carboxylate?
The molecular formula of ethyl 2-sulfanyl-1H-imidazole-4-carboxylate is C6H8N2O2S.
What is the molecular weight of ethyl 2-sulfanyl-1H-imidazole-4-carboxylate?
The molecular weight of ethyl 2-sulfanyl-1H-imidazole-4-carboxylate is 172.03 g/mol.
Where can I buy ethyl 2-sulfanyl-1H-imidazole-4-carboxylate?
You can request a quote for ethyl 2-sulfanyl-1H-imidazole-4-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-sulfanyl-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-sulfanyl-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.