sodium;benzenesulfinic acid;fluoride

C6H6FNaO2S — CID 174567476

IUPACsodium;benzenesulfinic acid;fluoride
SMILESO=S(O)c1ccccc1.[F-].[Na+]
InChIInChI=1S/C6H6O2S.FH.Na/c7-9(8)6-4-2-1-3-5-6;;/h1-5H,(H,7,8);1H;/q;;+1/p-1
InChIKeyFXMRSEMMOBNPMR-UHFFFAOYSA-M
MW184.17 g/mol
LogP-4.72
Rot. Bonds1

About sodium;benzenesulfinic acid;fluoride

sodium;benzenesulfinic acid;fluoride (PubChem CID 174567476) has the molecular formula C6H6FNaO2S and a molecular weight of 184.17 g/mol. Its IUPAC name is sodium;benzenesulfinic acid;fluoride.

Molecular Properties

Compound Namesodium;benzenesulfinic acid;fluoride
PubChem CID174567476
Molecular FormulaC6H6FNaO2S
Molecular Weight184.17 g/mol
Exact Mass184.00
IUPAC Namesodium;benzenesulfinic acid;fluoride
SMILESO=S(O)c1ccccc1.[F-].[Na+]
InChIInChI=1S/C6H6O2S.FH.Na/c7-9(8)6-4-2-1-3-5-6;;/h1-5H,(H,7,8);1H;/q;;+1/p-1
InChIKeyFXMRSEMMOBNPMR-UHFFFAOYSA-M
XLogP-4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-4.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;benzenesulfinic acid;fluoride?
The IUPAC name of sodium;benzenesulfinic acid;fluoride (CID 174567476) is sodium;benzenesulfinic acid;fluoride.
What is the SMILES notation for sodium;benzenesulfinic acid;fluoride?
The canonical SMILES for sodium;benzenesulfinic acid;fluoride is O=S(O)c1ccccc1.[F-].[Na+].
What is the InChIKey of sodium;benzenesulfinic acid;fluoride?
The InChIKey is FXMRSEMMOBNPMR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2S.FH.Na/c7-9(8)6-4-2-1-3-5-6;;/h1-5H,(H,7,8);1H;/q;;+1/p-1.
What are the key properties of sodium;benzenesulfinic acid;fluoride?
sodium;benzenesulfinic acid;fluoride has a molecular weight of 184.17 g/mol, XLogP of -4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzenesulfinic acid;fluoride is sourced from PubChem (CID 174567476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).