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| IUPAC Name: | 3-methylsulfonylaniline |
| Description: | 3-(Methylsulfonyl)aniline (CAS# 35216-39-8) is used in the preparation of substituted pyrazolopyrimidines as IRAK4 kinase inhibitors. |
| Molecular Weight: | 171.22 |
| Molecular Formula: | C7H9NO2S |
| Canonical SMILES: | CS(=O)(=O)C1=CC=CC(=C1)N |
| InChI: | InChI=1S/C7H9NO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,8H2,1H3 |
| InChI Key: | MBNPJRQKQLLRIS-UHFFFAOYSA-N |
| Boiling Point: | 403.3 ℃ at 760 mmHg |
| Density: | 1.282 g/cm3 |
| Appearance: | Dark brown solid |
| LogP: | 2.33430 |
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