Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
A suppressor of thyroid hormone production.
| ALogP | 0.7 |
|---|
| Pubchem Sid | 504753421 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753421 |
| Canonical Smiles | CCOC(=O)N1C=CN(C1=S)C |
| IUPAC Name | ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate |
| InChIKey | CFOYWRHIYXMDOT-UHFFFAOYSA-N |
| INCHI | 1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)N1C=CN(C1=S)C |
| WGK Germany | 3 |
| Molecular Weight | 186.23 |
| Reaxy-Rn | 144339 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=144339&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Carbonylimidazoles |
| Alternative Parents | N-substituted imidazoles Imidazolethiones Heteroaromatic compounds Thioureas Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Imidazole-1-carbonyl group - Imidazole-2-thione - N-substituted imidazole - Heteroaromatic compound - Carbonic acid derivative - Thiourea - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group. |
| External Descriptors | carbamate ester - imidazoles - thioureas |
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| Solubility | Soluble in water (2 mg/mL at 20 °C), ethanol (1:50), chloroform (1:3), acetone (1:17), and methanol. |
|---|---|
| Sensitivity | Air sensitive |
| Melt Point(°C) | 124 °C |
| Molecular Weight | 186.230 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 186.046 Da |
| Monoisotopic Mass | 186.046 Da |
| Topological Polar Surface Area | 64.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Nian Liu, Shuchao Zhang, Yiliang Liu, Xing Lu, Xiaozhen He. (2025) Potential Mechanisms Underlying Carbimazole-Induced Cardiotoxicity and Hepatotoxicity in Zebrafish. JOURNAL OF APPLIED TOXICOLOGY, [PMID:40784728] [10.1002/jat.4889] |