potassium 2-(4-fluorophenyl)sulfanylacetate

C8H6FKO2S — CID 23670823

IUPACpotassium 2-(4-fluorophenyl)sulfanylacetate
SMILESO=C([O-])CSc1ccc(F)cc1.[K+]
InChIInChI=1S/C8H7FO2S.K/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1
InChIKeyBNLWWCVJORNRMT-UHFFFAOYSA-M
MW224.30 g/mol
LogP-2.33
Rot. Bonds3

About potassium 2-(4-fluorophenyl)sulfanylacetate

potassium 2-(4-fluorophenyl)sulfanylacetate (PubChem CID 23670823) has the molecular formula C8H6FKO2S and a molecular weight of 224.30 g/mol. Its IUPAC name is potassium 2-(4-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Namepotassium 2-(4-fluorophenyl)sulfanylacetate
PubChem CID23670823
Molecular FormulaC8H6FKO2S
Molecular Weight224.30 g/mol
Exact Mass223.97
IUPAC Namepotassium 2-(4-fluorophenyl)sulfanylacetate
SMILESO=C([O-])CSc1ccc(F)cc1.[K+]
InChIInChI=1S/C8H7FO2S.K/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1
InChIKeyBNLWWCVJORNRMT-UHFFFAOYSA-M
XLogP-2.33
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-2.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanylacetate
CID 4115535
potassium 2-phenylsulfanylacetate
CID 23690750
1-(4-fluorophenyl)sulfanyl-3-methylbut-3-en-2-one
CID 79189606
2-(4-nitrophenyl)sulfanylacetate
CID 6949291
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
5-(4-fluorophenyl)sulfanyl-3-hydroxypentanoate
CID 22646099
1-(4-fluorophenyl)sulfanylpentan-2-one
CID 62043404
2-(2,4-difluorophenyl)sulfanylacetate
CID 7129456
1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-one
CID 79180159
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 106671220
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067

Frequently Asked Questions

What is the IUPAC name of potassium 2-(4-fluorophenyl)sulfanylacetate?
The IUPAC name of potassium 2-(4-fluorophenyl)sulfanylacetate (CID 23670823) is potassium 2-(4-fluorophenyl)sulfanylacetate.
What is the SMILES notation for potassium 2-(4-fluorophenyl)sulfanylacetate?
The canonical SMILES for potassium 2-(4-fluorophenyl)sulfanylacetate is O=C([O-])CSc1ccc(F)cc1.[K+].
What is the InChIKey of potassium 2-(4-fluorophenyl)sulfanylacetate?
The InChIKey is BNLWWCVJORNRMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7FO2S.K/c9-6-1-3-7(4-2-6)12-5-8(10)11;/h1-4H,5H2,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-(4-fluorophenyl)sulfanylacetate?
potassium 2-(4-fluorophenyl)sulfanylacetate has a molecular weight of 224.30 g/mol, XLogP of -2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(4-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 23670823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).