![2-(benzylthio)-3-(4-chlorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536715-32-9.webp)
2-(benzylthio)-3-(4-chlorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
2-benzylsulfanyl-3-(4-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_828822|2-(benzylsulfanyl)-3-(4-chlorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one|2-(benzylthio)-3-(4-chlorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one|F0580-0909|2-benzylsulfanyl-3-(4-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one
CAS: 536715-32-9
| Molecular Formula | C23H16ClN3OS |
|---|---|
| Molecular Weight | 417.07025 g/mol |
| LogP | 5.8127 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.07025 |
| Monoisotopic Mass | 417.07025 |
| Heavy Atoms | 29 |
| Complexity | 1374.9666 |
Chemical Identifiers
| CAS Number | 536715-32-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)NC5=CC=CC=C53 |
Product Overview
2-(benzylthio)-3-(4-chlorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536715-32-9), with molecular formula C23H16ClN3OS and molecular weight 417.07025 g/mol. IUPAC: 2-benzylsulfanyl-3-(4-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one.
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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2-(benzylthio)-3-(4-chlorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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