| CAS Number | 1559062-17-7 |
| Catalog Number | AG00J2C2(AGN-PC-0WB64A) |
| Chemical Name | 4-(Methylsulfonyl)-1H-pyrazole |
| IUPAC Name | 4-methylsulfonyl-1H-pyrazole |
| InChI | InChI=1S/C4H6N2O2S/c1-9(7,8)4-2-5-6-3-4/h2-3H,1H3,(H,5,6) |
| InChI Key | YELJBNQMOADGDT-UHFFFAOYSA-N |
| MDL Number | MFCD22394023 |
| Molecular Formula | C4H6N2O2S |
| Molecular Weight | 146.1676 |
| SMILES | O=S(C1=CNN=C1)(C)=O |
| Synonyms | 4-(methylsulfonyl)-1H-pyrazole,
1559062-17-7,
SCHEMBL16179008,
ZX-CM008984,
MFCD22394023,
ZINC95929113,
AKOS027426480,
FCH1619748,
A-7099,
4-Methanesulfonyl-1H-pyrazole,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.164g/mol |
| Monoisotopic Mass | 146.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number