AC1LTBQD
ethyl 2-[(3-methylbenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: Oprea1_089012|ethyl 2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-[(3-methylbenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-({[(3-methylbenzoyl)amino]carbonothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|ethyl 2-({[(3-methylphenyl)carbonylamino]thioxomethyl}amino)-4,5,6-trihydrocyc lopenta[2,1-b]thiophene-3-carboxylate|Ethyl 2-{[(3-methylbenzoyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H20N2O3S2 |
|---|---|
| Molecular Weight | 388.09152 g/mol |
| LogP | 3.84872 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.09152 |
| Monoisotopic Mass | 388.09152 |
| Heavy Atoms | 26 |
| Complexity | 873.66437 |
Chemical Identifiers
| CAS Number | 5539-95-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC(=O)C3=CC=CC(=C3)C |
Product Overview
AC1LTBQD (CAS 5539-95-7), with molecular formula C19H20N2O3S2 and molecular weight 388.09152 g/mol. IUPAC: ethyl 2-[(3-methylbenzoyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
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