ethanesulfinic acid;2-pyridazin-3-ylethanol

C8H14N2O3S — CID 175574452

IUPACethanesulfinic acid;2-pyridazin-3-ylethanol
SMILESCCS(=O)O.OCCc1cccnn1
InChIInChI=1S/C6H8N2O.C2H6O2S/c9-5-3-6-2-1-4-7-8-6;1-2-5(3)4/h1-2,4,9H,3,5H2;2H2,1H3,(H,3,4)
InChIKeyAAYAUOVTKPOLRP-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.24
Rot. Bonds3

About ethanesulfinic acid;2-pyridazin-3-ylethanol

ethanesulfinic acid;2-pyridazin-3-ylethanol (PubChem CID 175574452) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is ethanesulfinic acid;2-pyridazin-3-ylethanol.

Molecular Properties

Compound Nameethanesulfinic acid;2-pyridazin-3-ylethanol
PubChem CID175574452
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Nameethanesulfinic acid;2-pyridazin-3-ylethanol
SMILESCCS(=O)O.OCCc1cccnn1
InChIInChI=1S/C6H8N2O.C2H6O2S/c9-5-3-6-2-1-4-7-8-6;1-2-5(3)4/h1-2,4,9H,3,5H2;2H2,1H3,(H,3,4)
InChIKeyAAYAUOVTKPOLRP-UHFFFAOYSA-N
XLogP0.24
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
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 ethanesulfinic acid;2-pyridazin-3-ylethanol?
The IUPAC name of ethanesulfinic acid;2-pyridazin-3-ylethanol (CID 175574452) is ethanesulfinic acid;2-pyridazin-3-ylethanol.
What is the SMILES notation for ethanesulfinic acid;2-pyridazin-3-ylethanol?
The canonical SMILES for ethanesulfinic acid;2-pyridazin-3-ylethanol is CCS(=O)O.OCCc1cccnn1.
What is the InChIKey of ethanesulfinic acid;2-pyridazin-3-ylethanol?
The InChIKey is AAYAUOVTKPOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6O2S/c9-5-3-6-2-1-4-7-8-6;1-2-5(3)4/h1-2,4,9H,3,5H2;2H2,1H3,(H,3,4).
What are the key properties of ethanesulfinic acid;2-pyridazin-3-ylethanol?
ethanesulfinic acid;2-pyridazin-3-ylethanol has a molecular weight of 218.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfinic acid;2-pyridazin-3-ylethanol is sourced from PubChem (CID 175574452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).