2-(4-fluorophenyl)sulfanylacetate

C8H6FO2S- — CID 4115535

IUPAC2-(4-fluorophenyl)sulfanylacetate
SMILESO=C([O-])CSc1ccc(F)cc1
InChIInChI=1S/C8H7FO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/p-1
InChIKeyHQEROVXUKINLPI-UHFFFAOYSA-M
MW185.20 g/mol
LogP0.67
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanylacetate

2-(4-fluorophenyl)sulfanylacetate (PubChem CID 4115535) has the molecular formula C8H6FO2S- and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylacetate
PubChem CID4115535
Molecular FormulaC8H6FO2S-
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name2-(4-fluorophenyl)sulfanylacetate
SMILESO=C([O-])CSc1ccc(F)cc1
InChIInChI=1S/C8H7FO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/p-1
InChIKeyHQEROVXUKINLPI-UHFFFAOYSA-M
XLogP0.67
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium 2-(4-fluorophenyl)sulfanylacetate
CID 23670823
1-(4-fluorophenyl)sulfanyl-3-methylbut-3-en-2-one
CID 79189606
potassium 2-phenylsulfanylacetate
CID 23690750
2-(4-nitrophenyl)sulfanylacetate
CID 6949291
5-(4-fluorophenyl)sulfanyl-3-hydroxypentanoate
CID 22646099
1-(4-fluorophenyl)sulfanylpentan-2-one
CID 62043404
2-(2,4-difluorophenyl)sulfanylacetate
CID 7129456
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
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'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylacetate?
The IUPAC name of 2-(4-fluorophenyl)sulfanylacetate (CID 4115535) is 2-(4-fluorophenyl)sulfanylacetate.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylacetate?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylacetate is O=C([O-])CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylacetate?
The InChIKey is HQEROVXUKINLPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7FO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/p-1.
What are the key properties of 2-(4-fluorophenyl)sulfanylacetate?
2-(4-fluorophenyl)sulfanylacetate has a molecular weight of 185.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 4115535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).