AC1NCHOO
methyl 2-(azepane-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: methyl 2-(azepane-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate|methyl 2-(azepane-1-carbothioamido)-5-methyl-4-phenylthiophene-3-carboxylate|Methyl 2-(azepane-1-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate|methyl 2-[(azaperhydroepinylthioxomethyl)amino]-5-methyl-4-phenylthiophene-3-c arboxylate|methyl 2-[(azepan-1-ylcarbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
| Molecular Formula | C20H24N2O2S2 |
|---|---|
| Molecular Weight | 388.12793 g/mol |
| LogP | 5.08292 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.12793 |
| Monoisotopic Mass | 388.12793 |
| Heavy Atoms | 26 |
| Complexity | 778.6089 |
Chemical Identifiers
| CAS Number | 588692-77-7 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=S)N2CCCCCC2)C(=O)OC)C3=CC=CC=C3 |
Product Overview
AC1NCHOO (CAS 588692-77-7), with molecular formula C20H24N2O2S2 and molecular weight 388.12793 g/mol. IUPAC: methyl 2-(azepane-1-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate.
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