AC1L4PRS
[4-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)phenyl] thiocyanate
Also Known As: Thiocyanic acid, 4-(hexahydro-1,3-dioxoimidazo(1,5-)pyridin-2(3H)-yl)phenyl ester|[4-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)phenyl] thiocyanate|8-(4-thiocyanatophenyl)-1,8-diazabicyclo[4.3.0]nonane-7,9-dione|4-(1,3-Dioxohexahydroimidazo[1,5-a]pyridin-2(3H)-yl)phenyl thiocyanate|Thiocyanic acid,4-(hexahydro-1,3-dioxoimidazo[1,5-a]pyridin-2(3H)-yl)phenyl ester
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07285 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.07285 |
| Monoisotopic Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 76995-60-3 |
|---|---|
| SMILES | C1CCN2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC#N |
| InChIKey | NMYZGUPUILDNQW-UHFFFAOYSA-N |
Product Overview
AC1L4PRS (CAS 76995-60-3), with molecular formula C14H13N3O2S and molecular weight 287.07285 g/mol. IUPAC: [4-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)phenyl] thiocyanate.
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