C21H22N4OS
(2-hydroxy-9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)iminothiourea
Also Known As: (1E)-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone|(E)-2-(4,4,6-trimethyl-2-oxo-6-phenyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ylidene)hydrazinecarbothioamide|(2E)-2-(4,4,6-trimethyl-2-oxo-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)hydrazinecarbothioamide|2-[4,4,6-TRIMETHYL-2-OXO-6-PHENYL-5,6-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-1(2H)-YLIDEN]-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15143 g/mol |
| LogP | 5.119 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.15143 |
| Monoisotopic Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 1084.5048 |
Chemical Identifiers
| CAS Number | 522659-91-2 |
|---|---|
| SMILES | CC1(CC(C2=CC=CC3=C2N1C(=C3N=NC(=S)N)O)(C)C4=CC=CC=C4)C |
Product Overview
C21H22N4OS (CAS 522659-91-2), with molecular formula C21H22N4OS and molecular weight 378.15143 g/mol. IUPAC: (2-hydroxy-9,11,11-trimethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)iminothiourea.