2-(2-fluorophenyl)sulfanylacetic acid

C8H7FO2S — CID 2740386

IUPAC2-(2-fluorophenyl)sulfanylacetic acid
SMILESO=C(O)CSc1ccccc1F
InChIInChI=1S/C8H7FO2S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyBSTQAHSCLFITHV-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.00
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanylacetic acid

2-(2-fluorophenyl)sulfanylacetic acid (PubChem CID 2740386) has the molecular formula C8H7FO2S and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanylacetic acid
PubChem CID2740386
Molecular FormulaC8H7FO2S
Molecular Weight186.21 g/mol
Exact Mass186.02
IUPAC Name2-(2-fluorophenyl)sulfanylacetic acid
SMILESO=C(O)CSc1ccccc1F
InChIInChI=1S/C8H7FO2S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyBSTQAHSCLFITHV-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 61152911
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
1-(2-fluorophenyl)sulfanyl-3-methylpentan-2-one
CID 79446136
N,N-diethyl-2-(2-fluorophenyl)sulfanylacetamide
CID 60623990
2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 62822271
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 61007624
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013
2-(2-fluorophenyl)sulfanylethanethioamide
CID 66051849
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-fluorophenyl)sulfanylethanone
CID 106671689
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanylacetic acid?
The IUPAC name of 2-(2-fluorophenyl)sulfanylacetic acid (CID 2740386) is 2-(2-fluorophenyl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanylacetic acid?
The canonical SMILES for 2-(2-fluorophenyl)sulfanylacetic acid is O=C(O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanylacetic acid?
The InChIKey is BSTQAHSCLFITHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(2-fluorophenyl)sulfanylacetic acid?
2-(2-fluorophenyl)sulfanylacetic acid has a molecular weight of 186.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanylacetic acid is sourced from PubChem (CID 2740386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).