2-(Methylsulfonyl)aniline - CAS 2987-49-7
Catalog: |
BB020361 |
Product Name: |
2-(Methylsulfonyl)aniline |
CAS: |
2987-49-7 |
Synonyms: |
2-methylsulfonylaniline; 2-methylsulfonylaniline |
IUPAC Name: | 2-methylsulfonylaniline |
Description: | 2-(Methylsulfonyl)aniline (CAS# 2987-49-7) is a useful research chemical. |
Molecular Weight: | 171.22 |
Molecular Formula: | C7H9NO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC=C1N |
InChI: | InChI=1S/C7H9NO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 |
InChI Key: | AUSRSVRJOXYXMI-UHFFFAOYSA-N |
Boiling Point: | 377.1 °C at 760 mmHg |
Density: | 1.282 g/cm3 |
LogP: | 2.33430 |
Publication Number | Title | Priority Date |
WO-2021143693-A1 | Aryl or heteroaryl pyridone or pyrimidine derivative, preparation method and use thereof | 20200113 |
WO-2021061643-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 20190923 |
WO-2021035031-A1 | Inhibitors of phospholipid synthesis and methods of use | 20190821 |
WO-2021012049-A1 | Substituted 2-morpholinopyridine derivatives as atr kinase inhibitors | 20190722 |
WO-2020159904-A1 | Amide-disubstituted pyridine or pyridazine compounds | 20190130 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0353997 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0353997 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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