AC1O4P6R
3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: SR-01000412224-1|3-(BUTYLSULFANYL)-6-(3-CHLOROPHENYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE|3-(butylthio)-6-(3-chlorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine|3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CAS: 5662-91-9
| Molecular Formula | C20H19ClN4OS |
|---|---|
| Molecular Weight | 398.0968 g/mol |
| LogP | 5.5873 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.0968 |
| Monoisotopic Mass | 398.0968 |
| Heavy Atoms | 27 |
| Complexity | 952.7698 |
Chemical Identifiers
| CAS Number | 5662-91-9 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)Cl)N=N1 |
Product Overview
AC1O4P6R (CAS 5662-91-9), with molecular formula C20H19ClN4OS and molecular weight 398.0968 g/mol. IUPAC: 3-butylsulfanyl-6-(3-chlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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