AC1NTQSH
7-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-5-methylindol-2-one
Also Known As: Oprea1_137544|AG-690/36161024|(3Z)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one|7-bromo-5-methyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one|(3E)-7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one|7-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-5-methylindol-2-one|7-bromo-5-methyl-3-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1H-indol-2-one|7-BROMO-5-METHYL-3-[(4Z)-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YLIDENE]-2,3-DIHYDRO-1H-INDOL-2-ONE
| Molecular Formula | C12H8BrN3O2S |
|---|---|
| Molecular Weight | 336.95206 g/mol |
| LogP | 1.20761 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.95206 |
| Monoisotopic Mass | 336.95206 |
| Heavy Atoms | 19 |
| Complexity | 894.67395 |
Chemical Identifiers
| CAS Number | 331002-52-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=O)N=C2C(=C1)Br)C3=C(NC(=S)N3)O |
Product Overview
AC1NTQSH (CAS 331002-52-9), with molecular formula C12H8BrN3O2S and molecular weight 336.95206 g/mol. IUPAC: 7-bromo-3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-5-methylindol-2-one.