pyridazine-4-sulfinate

C4H3N2O2S- — CID 67245859

IUPACpyridazine-4-sulfinate
SMILESO=S([O-])c1ccnnc1
InChIInChI=1S/C4H4N2O2S/c7-9(8)4-1-2-5-6-3-4/h1-3H,(H,7,8)/p-1
InChIKeyILOBGXBFVAHJNM-UHFFFAOYSA-M
MW143.15 g/mol
LogP-0.29
Rot. Bonds1

About pyridazine-4-sulfinate

pyridazine-4-sulfinate (PubChem CID 67245859) has the molecular formula C4H3N2O2S- and a molecular weight of 143.15 g/mol. Its IUPAC name is pyridazine-4-sulfinate.

Molecular Properties

Compound Namepyridazine-4-sulfinate
PubChem CID67245859
Molecular FormulaC4H3N2O2S-
Molecular Weight143.15 g/mol
Exact Mass142.99
IUPAC Namepyridazine-4-sulfinate
SMILESO=S([O-])c1ccnnc1
InChIInChI=1S/C4H4N2O2S/c7-9(8)4-1-2-5-6-3-4/h1-3H,(H,7,8)/p-1
InChIKeyILOBGXBFVAHJNM-UHFFFAOYSA-M
XLogP-0.29
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 pyridazine-4-sulfinate?
The IUPAC name of pyridazine-4-sulfinate (CID 67245859) is pyridazine-4-sulfinate.
What is the SMILES notation for pyridazine-4-sulfinate?
The canonical SMILES for pyridazine-4-sulfinate is O=S([O-])c1ccnnc1.
What is the InChIKey of pyridazine-4-sulfinate?
The InChIKey is ILOBGXBFVAHJNM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O2S/c7-9(8)4-1-2-5-6-3-4/h1-3H,(H,7,8)/p-1.
What are the key properties of pyridazine-4-sulfinate?
pyridazine-4-sulfinate has a molecular weight of 143.15 g/mol, XLogP of -0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazine-4-sulfinate is sourced from PubChem (CID 67245859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).