| Canonical Smiles | CN1C=C(C=N1)S(=O)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;1-methylpyrazole-4-sulfinate |
| InChIKey | MAZOSGFLSVGQME-UHFFFAOYSA-M |
| INCHI | 1S/C4H6N2O2S.Na/c1-6-3-4(2-5-6)9(7)8;/h2-3H,1H3,(H,7,8);/q;+1/p-1 |
| Isomeric SMILES | CN1C=C(C=N1)S(=O)[O-].[Na+] |
| PubChem CID | 57744901 |
| Molecular Weight | 168.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazoles |
| Alternative Parents | Heteroaromatic compounds Sulfinic acids and derivatives Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Pyrazole - Sulfinic acid derivative - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 168.150 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 167.997 Da |
| Monoisotopic Mass | 167.997 Da |
| Topological Polar Surface Area | 77.200 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 134.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
