![2-(isopropylthio)-3-(4-nitrophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536717-22-3.webp)
2-(isopropylthio)-3-(4-nitrophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
3-(4-nitrophenyl)-2-propan-2-ylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_657753|3-(4-nitrophenyl)-2-(propan-2-ylsulfanyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one|2-(isopropylthio)-3-(4-nitrophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one|F0580-1094|3-(4-nitrophenyl)-2-propan-2-ylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
CAS: 536717-22-3
| Molecular Formula | C19H16N4O3S |
|---|---|
| Molecular Weight | 380.0943 g/mol |
| LogP | 4.2757 |
| Topological Polar Surface Area | 93.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.0943 |
| Monoisotopic Mass | 380.0943 |
| Heavy Atoms | 27 |
| Complexity | 1225.6498 |
Chemical Identifiers
| CAS Number | 536717-22-3 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC=C42 |
Product Overview
2-(isopropylthio)-3-(4-nitrophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536717-22-3), with molecular formula C19H16N4O3S and molecular weight 380.0943 g/mol. IUPAC: 3-(4-nitrophenyl)-2-propan-2-ylsulfanyl-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-(isopropylthio)-3-(4-nitrophenyl)-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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