4-(Methylsulfonyl)-1H-pyrazole - CAS 1559062-17-7
Catalog: |
BB011179 |
Product Name: |
4-(Methylsulfonyl)-1H-pyrazole |
CAS: |
1559062-17-7 |
Synonyms: |
4-methylsulfonyl-1H-pyrazole; 4-methylsulfonyl-1H-pyrazole |
IUPAC Name: | 4-methylsulfonyl-1H-pyrazole |
Description: | 4-(Methylsulfonyl)-1H-pyrazole (CAS# 1559062-17-7) is a useful research chemical. |
Molecular Weight: | 146.17 |
Molecular Formula: | C4H6N2O2S |
Canonical SMILES: | CS(=O)(=O)C1=CNN=C1 |
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 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202003465-A | Piperidine compounds as covalent MENIN inhibitors | 20180330 |
AU-2017222958-A1 | Glycosidase inhibitors | 20160225 |
AU-2017222958-B2 | Glycosidase inhibitors | 20160225 |
AU-2017222964-A1 | Glycosidase inhibitors | 20160225 |
AU-2017222964-B2 | Glycosidase inhibitors | 20160225 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.01499861 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.01499861 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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