![2-((4-methylbenzyl)thio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5367/536705-06-3.webp)
2-((4-methylbenzyl)thio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_041389|AB00668821-01|2-((4-methylbenzyl)thio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one|F0580-0259|3-(4-methylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one|3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C25H21N3OS |
|---|---|
| Molecular Weight | 411.14053 g/mol |
| LogP | 5.77614 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.14053 |
| Monoisotopic Mass | 411.14053 |
| Heavy Atoms | 30 |
| Complexity | 1413.8167 |
Chemical Identifiers
| CAS Number | 536705-06-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)C)NC5=CC=CC=C53 |
Product Overview
2-((4-methylbenzyl)thio)-3-(p-tolyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 536705-06-3), with molecular formula C25H21N3OS and molecular weight 411.14053 g/mol. IUPAC: 3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one.
2-((4-methylbenzyl)thio)-3-(p-tolyl)-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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