| CAS Number | 82511-61-3 |
| Catalog Number | AG004UIP(AGN-PC-03FSXE) |
| Chemical Name | 2-Methanesulfonyl-1H-pyrrole |
| IUPAC Name | 2-methylsulfonyl-1H-pyrrole |
| InChI | InChI=1S/C5H7NO2S/c1-9(7,8)5-3-2-4-6-5/h2-4,6H,1H3 |
| InChI Key | DFNJKJJPJAVTNY-UHFFFAOYSA-N |
| MDL Number | MFCD19217206 |
| Molecular Formula | C5H7NO2S |
| Molecular Weight | 145.1796 |
| SMILES | CS(=O)(=O)c1ccc[nH]1 |
| Synonyms | 2-Methanesulfonyl-1H-pyrrole,
82511-61-3,
1H-Pyrrole, 2-(methylsulfonyl)-,
methanesulfonylpyrrole,
ACMC-209ppb,
SCHEMBL3578021,
2-(Methylsulfonyl)-1H-pyrrole,
2-(Methanesulfonyl)-1H-pyrrole,
CTK8B2370,
DTXSID30509910,
ANW-37581,
MFCD19217206,
ZINC39290236,
AKOS006346872,
TC-126326,
V7881,
B-9131,
C5H7NO2S,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.176g/mol |
| Monoisotopic Mass | 145.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number