AC1M34LE
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate
Also Known As: methyl 5-(dimethylcarbamoyl)-4-methyl-2-({[2-(methylsulfanyl)phenyl]carbamothioyl}amino)thiophene-3-carboxylate|methyl 5-(dimethylcarbamoyl)-4-methyl-2-(3-(2-(methylthio)phenyl)thioureido)thiophene-3-carboxylate|methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate|methyl 5-(N,N-dimethylcarbamoyl)-4-methyl-2-({[(2-methylthiophenyl)amino]thiox omethyl}amino)thiophene-3-carboxylate
| Molecular Formula | C18H21N3O3S3 |
|---|---|
| Molecular Weight | 423.0745 g/mol |
| LogP | 4.07572 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0745 |
| Monoisotopic Mass | 423.0745 |
| Heavy Atoms | 27 |
| Complexity | 877.97705 |
Chemical Identifiers
| CAS Number | 701933-38-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC)C(=O)N(C)C |
Product Overview
AC1M34LE (CAS 701933-38-2), with molecular formula C18H21N3O3S3 and molecular weight 423.0745 g/mol. IUPAC: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate.
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