2-oxo-2-phenylethanethial;hydrofluoride

C8H7FOS — CID 174571651

IUPAC2-oxo-2-phenylethanethial;hydrofluoride
SMILESF.O=C(C=S)c1ccccc1
InChIInChI=1S/C8H6OS.FH/c9-8(6-10)7-4-2-1-3-5-7;/h1-6H;1H
InChIKeyBQFBXXCORVGLCU-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.02
Rot. Bonds2

About 2-oxo-2-phenylethanethial;hydrofluoride

2-oxo-2-phenylethanethial;hydrofluoride (PubChem CID 174571651) has the molecular formula C8H7FOS and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-oxo-2-phenylethanethial;hydrofluoride.

Molecular Properties

Compound Name2-oxo-2-phenylethanethial;hydrofluoride
PubChem CID174571651
Molecular FormulaC8H7FOS
Molecular Weight170.21 g/mol
Exact Mass170.02
IUPAC Name2-oxo-2-phenylethanethial;hydrofluoride
SMILESF.O=C(C=S)c1ccccc1
InChIInChI=1S/C8H6OS.FH/c9-8(6-10)7-4-2-1-3-5-7;/h1-6H;1H
InChIKeyBQFBXXCORVGLCU-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 160849489
phenacylidenetungsten
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CID 173413891
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-1-phenyl-3-pyridin-1-ium-1-ylprop-2-en-1-one
CID 6041695
benzoic acid;titanium;trihydrofluoride
CID 173018170
(E)-3-(dimethylamino)-1-phenylbut-2-en-1-one
CID 11019632
methanamine;1-phenylprop-2-en-1-one
CID 91395058

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-phenylethanethial;hydrofluoride?
The IUPAC name of 2-oxo-2-phenylethanethial;hydrofluoride (CID 174571651) is 2-oxo-2-phenylethanethial;hydrofluoride.
What is the SMILES notation for 2-oxo-2-phenylethanethial;hydrofluoride?
The canonical SMILES for 2-oxo-2-phenylethanethial;hydrofluoride is F.O=C(C=S)c1ccccc1.
What is the InChIKey of 2-oxo-2-phenylethanethial;hydrofluoride?
The InChIKey is BQFBXXCORVGLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS.FH/c9-8(6-10)7-4-2-1-3-5-7;/h1-6H;1H.
What are the key properties of 2-oxo-2-phenylethanethial;hydrofluoride?
2-oxo-2-phenylethanethial;hydrofluoride has a molecular weight of 170.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-phenylethanethial;hydrofluoride is sourced from PubChem (CID 174571651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).