| CAS Number | 51832-28-1 |
| Catalog Number | AG00DKGI(AGN-PC-00L8A4) |
| Chemical Name | 1-Methanesulfonylpyrrole |
| IUPAC Name | 1-methylsulfonylpyrrole |
| InChI | InChI=1S/C5H7NO2S/c1-9(7,8)6-4-2-3-5-6/h2-5H,1H3 |
| InChI Key | ZNRLSDRSVBEBMA-UHFFFAOYSA-N |
| MDL Number | MFCD05144862 |
| Molecular Formula | C5H7NO2S |
| Molecular Weight | 145.1796 |
| SMILES | CS(N1C=CC=C1)(=O)=O |
| Synonyms | 1-Methanesulfonylpyrrole,
51832-28-1,
1-(Methylsulfonyl)-1H-pyrrole,
1-(methanesulfonyl)pyrrole,
ACMC-209kw9,
1-methanesulfonyl-1H-pyrrole,
SCHEMBL6347129,
1-(Methanesulfonyl)-1H-pyrrole,
CTK1G3946,
DTXSID30523818,
1H-Pyrrole, 1-(methylsulfonyl)-,
ANW-31351,
MFCD05144862,
ZINC14218689,
AKOS003961481,
TC-120096,
V6357,
B-9005,
C5H7NO2S,
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| Complexity | 174 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.176g/mol |
| Monoisotopic Mass | 145.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number