| CAS Number | 1956365-20-0 |
| Catalog Number | AG01EIMI |
| Chemical Name | 3-(methanesulfonylmethyl)-1H-pyrazole |
| IUPAC Name | 5-(methylsulfonylmethyl)-1H-pyrazole |
| InChI | InChI=1S/C5H8N2O2S/c1-10(8,9)4-5-2-3-6-7-5/h2-3H,4H2,1H3,(H,6,7) |
| InChI Key | UMAOEOPCSCXTLY-UHFFFAOYSA-N |
| MDL Number | MFCD30663045 |
| Molecular Formula | C5H8N2O2S |
| Molecular Weight | 160.1942 |
| SMILES | CS(CC1=NNC=C1)(=O)=O |
| Synonyms | SCHEMBL3545881,
3-(methanesulfonylmethyl)-1H-pyrazole,
ZINC142716504,
1956365-20-0,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.191g/mol |
| Monoisotopic Mass | 160.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number