3-(Methylsulfonyl)benzonitrile - CAS 22821-75-6
Catalog: |
BB017759 |
Product Name: |
3-(Methylsulfonyl)benzonitrile |
CAS: |
22821-75-6 |
Synonyms: |
3-methylsulfonylbenzonitrile; 3-methylsulfonylbenzonitrile |
IUPAC Name: | 3-methylsulfonylbenzonitrile |
Description: | 3-(Methylsulfonyl)benzonitrile (CAS# 22821-75-6) is a useful research chemical. |
Molecular Weight: | 181.21 |
Molecular Formula: | C8H7NO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC(=C1)C#N |
InChI: | InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,1H3 |
InChI Key: | VWPJXEYDYJQMBC-UHFFFAOYSA-N |
Boiling Point: | 378.1 ℃ at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD04037969 |
LogP: | 2.04258 |
Publication Number | Title | Priority Date |
CN-113130994-A | Electrolyte and electrochemical device comprising same | 20191230 |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
WO-2019147783-A1 | Sulfonamide derivatives for protein degradation | 20180125 |
WO-2017103188-A1 | Therapeutic compounds, compositions and methods of use thereof | 20151218 |
US-2018199575-A1 | Substituted oxotetrahydroquinolinylphosphinic acid and phosphinic acid amides or salts thereof and use thereof to increase stress tolerance in plants | 20150715 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.01974964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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