| CAS Number | 1854908-42-1 |
| Catalog Number | AG01C8DD |
| Chemical Name | sodium 1,5-dimethyl-1H-pyrazole-4-sulfinate |
| IUPAC Name | sodium;1,5-dimethylpyrazole-4-sulfinate |
| InChI | InChI=1S/C5H8N2O2S.Na/c1-4-5(10(8)9)3-6-7(4)2;/h3H,1-2H3,(H,8,9);/q;+1/p-1 |
| InChI Key | YCXJMUQHRWCOFH-UHFFFAOYSA-M |
| MDL Number | MFCD30232588 |
| Molecular Formula | C5H7N2NaO2S |
| Molecular Weight | 182.1761 |
| SMILES | [Na+].CC1N(C)N=CC=1S([O-])=O |
| Synonyms | sodium 1,5-dimethyl-1H-pyrazole-4-sulfinate,
1854908-42-1,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.173g/mol |
| Monoisotopic Mass | 182.013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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