sodium 1H-pyrazole-4-sulfinate

C3H3N2NaO2S — CID 130538090

IUPACsodium 1H-pyrazole-4-sulfinate
SMILESO=S([O-])c1cn[nH]c1.[Na+]
InChIInChI=1S/C3H4N2O2S.Na/c6-8(7)3-1-4-5-2-3;/h1-2H,(H,4,5)(H,6,7);/q;+1/p-1
InChIKeyCTBLZVSGIPYYEA-UHFFFAOYSA-M
MW154.13 g/mol
LogP-3.35
Rot. Bonds1

About sodium 1H-pyrazole-4-sulfinate

sodium 1H-pyrazole-4-sulfinate (PubChem CID 130538090) has the molecular formula C3H3N2NaO2S and a molecular weight of 154.13 g/mol. Its IUPAC name is sodium 1H-pyrazole-4-sulfinate.

Molecular Properties

Compound Namesodium 1H-pyrazole-4-sulfinate
PubChem CID130538090
Molecular FormulaC3H3N2NaO2S
Molecular Weight154.13 g/mol
Exact Mass153.98
IUPAC Namesodium 1H-pyrazole-4-sulfinate
SMILESO=S([O-])c1cn[nH]c1.[Na+]
InChIInChI=1S/C3H4N2O2S.Na/c6-8(7)3-1-4-5-2-3;/h1-2H,(H,4,5)(H,6,7);/q;+1/p-1
InChIKeyCTBLZVSGIPYYEA-UHFFFAOYSA-M
XLogP-3.35
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-3.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 1H-pyrazole-4-sulfinate?
The IUPAC name of sodium 1H-pyrazole-4-sulfinate (CID 130538090) is sodium 1H-pyrazole-4-sulfinate.
What is the SMILES notation for sodium 1H-pyrazole-4-sulfinate?
The canonical SMILES for sodium 1H-pyrazole-4-sulfinate is O=S([O-])c1cn[nH]c1.[Na+].
What is the InChIKey of sodium 1H-pyrazole-4-sulfinate?
The InChIKey is CTBLZVSGIPYYEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2O2S.Na/c6-8(7)3-1-4-5-2-3;/h1-2H,(H,4,5)(H,6,7);/q;+1/p-1.
What are the key properties of sodium 1H-pyrazole-4-sulfinate?
sodium 1H-pyrazole-4-sulfinate has a molecular weight of 154.13 g/mol, XLogP of -3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1H-pyrazole-4-sulfinate is sourced from PubChem (CID 130538090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).