AC1M31ZH
diethyl 5-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate|diethyl 5-(3-(2-(methoxycarbonyl)thiophen-3-yl)thioureido)-3-methylthiophene-2,4-dicarboxylate|diethyl 5-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate|ethyl 5-(ethoxycarbonyl)-2-[({[2-(methoxycarbonyl)(3-thienyl)]amino}thioxometh yl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C18H20N2O6S3 |
|---|---|
| Molecular Weight | 456.04834 g/mol |
| LogP | 4.06692 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.04834 |
| Monoisotopic Mass | 456.04834 |
| Heavy Atoms | 29 |
| Complexity | 934.17163 |
Chemical Identifiers
| CAS Number | 701282-45-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(SC=C2)C(=O)OC |
Product Overview
AC1M31ZH (CAS 701282-45-3), with molecular formula C18H20N2O6S3 and molecular weight 456.04834 g/mol. IUPAC: diethyl 5-[(2-methoxycarbonylthiophen-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate.
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