AC1MVB3D
6-(4-chlorophenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide
Also Known As: 1-(4-chlorophenyl)-N-phenyl-4-(p-tolyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene-2-carbothioamide|4-(4-chlorophenyl)-1-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
CAS: 540774-33-2
| Molecular Formula | C29H25ClN4S |
|---|---|
| Molecular Weight | 496.14883 g/mol |
| LogP | 7.55552 |
| Topological Polar Surface Area | 34.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.14883 |
| Monoisotopic Mass | 496.14883 |
| Heavy Atoms | 35 |
| Complexity | 1530.4171 |
Chemical Identifiers
| CAS Number | 540774-33-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=CC=C6 |
Product Overview
AC1MVB3D (CAS 540774-33-2), with molecular formula C29H25ClN4S and molecular weight 496.14883 g/mol. IUPAC: 6-(4-chlorophenyl)-2-(4-methylphenyl)-N-phenyl-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carbothioamide.
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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