ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
TL;DR: ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate (CAS 69455-58-9) is a chemical compound with molecular formula C7H12N2O2S and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
Also Known As: ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate, ethyl (4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
| Molecular Formula | C7H12N2O2S |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.06195 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 69455-58-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NCCN1 |
| InChIKey | VWZYRXANYAUJAL-UHFFFAOYSA-N |
Product Overview
ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate (CAS 69455-58-9), with molecular formula C7H12N2O2S and molecular weight 188.06 g/mol. IUPAC: ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate.
Chemical Property Profile of ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
Property Insights of ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate. Following Lipinski's Rule of Five, ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate has 1 hydrogen bond donor(s) and 4 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-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate?
The CAS number of ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate is 69455-58-9.
What is the molecular formula of ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate?
The molecular formula of ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate is C7H12N2O2S.
What is the molecular weight of ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate?
The molecular weight of ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate is 188.06 g/mol.
Where can I buy ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate?
You can request a quote for ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.