O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate
TL;DR: O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate (CAS 497-98-3) 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 (1-methylimidazol-2-yl)sulfanylformate
Also Known As: O-ethylS- thiocarbonate, ethyl (1-methylimidazol-2-yl)sulfanylformate, 1-methyl-2-ethoxycarbonylthioimidazole, O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate, Carbonic acid, thio-, O-ethyl S-(1-methylimidazol-2-yl) ester
| Molecular Formula | C7H10N2O2S |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.0463 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 497-98-3 |
|---|---|
| SMILES | CCOC(=O)SC1=NC=CN1C |
| InChIKey | IMXYRSSHUQHQBH-UHFFFAOYSA-N |
Product Overview
O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate (CAS 497-98-3), with molecular formula C7H10N2O2S and molecular weight 186.05 g/mol. IUPAC: ethyl (1-methylimidazol-2-yl)sulfanylformate.
Chemical Property Profile of O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate
Property Insights of O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate. Following Lipinski's Rule of Five, O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate has 0 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 O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate?
The CAS number of O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate is 497-98-3.
What is the molecular formula of O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate?
The molecular formula of O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate is C7H10N2O2S.
What is the molecular weight of O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate?
The molecular weight of O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate is 186.05 g/mol.
Where can I buy O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate?
You can request a quote for O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl S-(1-methyl-1H-imidazol-2-yl) thiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.