![2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/5376/537668-35-2.webp)
2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: Oprea1_188222|NCGC00135602-01|2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-methyl-3H,4H,5H-pyrimido[5,4-b]indol-4-one|G856-0789|2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one|F0580-0070|2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H19N3OS |
|---|---|
| Molecular Weight | 349.12488 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.12488 |
| Monoisotopic Mass | 349.12488 |
| Heavy Atoms | 25 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 537668-35-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43 |
| InChIKey | TXLCGEVFVRFTCC-UHFFFAOYSA-N |
Product Overview
2-((2,5-dimethylbenzyl)thio)-3-methyl-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 537668-35-2), with molecular formula C20H19N3OS and molecular weight 349.12488 g/mol. IUPAC: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-methyl-5H-pyrimido[5,4-b]indol-4-one.
2-((2,5-dimethylbenzyl)thio)-3-methyl-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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