AC1MG912
methyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[2-(cyclohex-1-en-1-yl)ethyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)-6-methyl-4,5,6,7 -tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-(3-(2-(cyclohex-1-en-1-yl)ethyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H28N2O2S2 |
|---|---|
| Molecular Weight | 392.1592 g/mol |
| LogP | 4.8364 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1592 |
| Monoisotopic Mass | 392.1592 |
| Heavy Atoms | 26 |
| Complexity | 708.9095 |
Chemical Identifiers
| CAS Number | 708232-87-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCCC3=CCCCC3 |
Product Overview
AC1MG912 (CAS 708232-87-5), with molecular formula C20H28N2O2S2 and molecular weight 392.1592 g/mol. IUPAC: methyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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