(4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane

C7H7FO2S — CID 91455649

IUPAC(4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane
SMILESC=S(=O)(O)c1ccc(F)cc1
InChIInChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H2,(H,9,10)
InChIKeyWYNQSXLYUUFXEE-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.37
Rot. Bonds1

About (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane

(4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane (PubChem CID 91455649) has the molecular formula C7H7FO2S and a molecular weight of 174.20 g/mol. Its IUPAC name is (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane
PubChem CID91455649
Molecular FormulaC7H7FO2S
Molecular Weight174.20 g/mol
Exact Mass174.02
IUPAC Name(4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane
SMILESC=S(=O)(O)c1ccc(F)cc1
InChIInChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H2,(H,9,10)
InChIKeyWYNQSXLYUUFXEE-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluorobenzenesulfonic acid;hydrochloride
CID 87503782
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
tris(diaminomethylideneazanium);tris(4-fluorobenzenesulfonate)
CID 139118130
gallium tris(4-fluorobenzenesulfonate)
CID 22604842
4-(4-fluorobenzoyl)benzenesulfonic acid
CID 139945300
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
cyclobutyl-(4-fluorophenyl)-methylidene-oxo-λ6-sulfane
CID 89038379
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
4-fluoro-N-prop-1-en-2-ylbenzenesulfonamide
CID 175173681
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
ethyl 2-methylprop-2-enoate;4-fluorobenzenesulfonic acid
CID 158963234
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane?
The IUPAC name of (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane (CID 91455649) is (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane?
The canonical SMILES for (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane is C=S(=O)(O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane?
The InChIKey is WYNQSXLYUUFXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H2,(H,9,10).
What are the key properties of (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane?
(4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane has a molecular weight of 174.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-hydroxy-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 91455649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).