(2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane

C8H9FO2S — CID 90940160

IUPAC(2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane
SMILESCS(=O)(O)=Cc1ccccc1F
InChIInChI=1S/C8H9FO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-6H,1H3,(H,10,11)
InChIKeyHIMIHXFLCFWFEZ-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.36
Rot. Bonds1

About (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane

(2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane (PubChem CID 90940160) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane
PubChem CID90940160
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name(2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane
SMILESCS(=O)(O)=Cc1ccccc1F
InChIInChI=1S/C8H9FO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-6H,1H3,(H,10,11)
InChIKeyHIMIHXFLCFWFEZ-UHFFFAOYSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

hydroxy-[(2-methoxyphenyl)methylidene]-methyl-oxo-λ6-sulfane
CID 91116742
[2-(difluoromethoxy)phenyl]methylidene-hydroxy-methyl-oxo-λ6-sulfane
CID 91805708
potassium (E)-2-(2-fluorophenyl)ethenesulfonate
CID 138974448
2-(2-fluorophenyl)ethenyl-methylphosphinic acid
CID 66797029
1-(2,2-dibromoethenyl)-2-fluorobenzene
CID 643344
benzene;2-fluorobenzenesulfonic acid
CID 174946544
(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride
CID 83715559
3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide
CID 76872152
1-ethyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904341
N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826534
2,6-difluorobenzenesulfonic acid
CID 14766952
4-[3-(2-fluorophenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4041053

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane?
The IUPAC name of (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane (CID 90940160) is (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane?
The canonical SMILES for (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane is CS(=O)(O)=Cc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane?
The InChIKey is HIMIHXFLCFWFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-12(10,11)6-7-4-2-3-5-8(7)9/h2-6H,1H3,(H,10,11).
What are the key properties of (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane?
(2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane has a molecular weight of 188.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 90940160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).