3-(Methylsulfonyl)-1H-pyrrole - CAS 82511-59-9
Catalog: |
BB036848 |
Product Name: |
3-(Methylsulfonyl)-1H-pyrrole |
CAS: |
82511-59-9 |
Synonyms: |
3-methylsulfonyl-1H-pyrrole; 3-methylsulfonyl-1H-pyrrole |
IUPAC Name: | 3-methylsulfonyl-1H-pyrrole |
Description: | 3-(Methylsulfonyl)-1H-pyrrole (CAS# 82511-59-9 ) is a useful research chemical. |
Molecular Weight: | 145.18 |
Molecular Formula: | C5H7NO2S |
Canonical SMILES: | CS(=O)(=O)C1=CNC=C1 |
InChI: | InChI=1S/C5H7NO2S/c1-9(7,8)5-2-3-6-4-5/h2-4,6H,1H3 |
InChI Key: | CTMWDRVOGLRNOH-UHFFFAOYSA-N |
LogP: | 1.49900 |
Publication Number | Title | Priority Date |
CN-108699037-A | Noval chemical compound for treating fibrosis and its pharmaceutical composition | 20160304 |
CN-108430977-A | Phenylimidazole compounds | 20151225 |
AU-2016333855-A1 | Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and their use | 20151009 |
CA-3001094-A1 | Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and their use | 20151009 |
EP-3359539-A1 | Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and their use | 20151009 |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.01974964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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