AC1LG02I
ethyl 2-(acetylcarbamothioylamino)-5-ethylthiophene-3-carboxylate
Also Known As: Oprea1_821961|BAS 00796096|ethyl 2-(acetylcarbamothioylamino)-5-ethylthiophene-3-carboxylate|SR-01000362043-1|2-[[acetamido(sulfanylidene)methyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester|2-(3-Acetyl-thioureido)-5-ethyl-thiophene-3-carboxylic acid ethyl ester|ethyl 2-(3-acetylthioureido)-5-ethylthiophene-3-carboxylate|ethyl 2-[(acetylcarbamothioyl)amino]-5-ethylthiophene-3-carboxylate
| Molecular Formula | C12H16N2O3S2 |
|---|---|
| Molecular Weight | 300.06024 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.06024 |
| Monoisotopic Mass | 300.06024 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 332017-66-0 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=S)NC(=O)C)C(=O)OCC |
| InChIKey | ZEEQQOSXJRSPPM-UHFFFAOYSA-N |
Product Overview
AC1LG02I (CAS 332017-66-0), with molecular formula C12H16N2O3S2 and molecular weight 300.06024 g/mol. IUPAC: ethyl 2-(acetylcarbamothioylamino)-5-ethylthiophene-3-carboxylate.
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