2-(2,4-difluorophenyl)sulfanylacetate

C8H5F2O2S- — CID 7129456

IUPAC2-(2,4-difluorophenyl)sulfanylacetate
SMILESO=C([O-])CSc1ccc(F)cc1F
InChIInChI=1S/C8H6F2O2S/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/p-1
InChIKeyDGMMJRBTUKGZRY-UHFFFAOYSA-M
MW203.19 g/mol
LogP0.81
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanylacetate

2-(2,4-difluorophenyl)sulfanylacetate (PubChem CID 7129456) has the molecular formula C8H5F2O2S- and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanylacetate
PubChem CID7129456
Molecular FormulaC8H5F2O2S-
Molecular Weight203.19 g/mol
Exact Mass203.00
IUPAC Name2-(2,4-difluorophenyl)sulfanylacetate
SMILESO=C([O-])CSc1ccc(F)cc1F
InChIInChI=1S/C8H6F2O2S/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/p-1
InChIKeyDGMMJRBTUKGZRY-UHFFFAOYSA-M
XLogP0.81
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone
CID 43226491
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
1-(2-bromoprop-2-enylsulfanyl)-2,4-difluorobenzene
CID 131219284
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
potassium 2-(4-fluorophenyl)sulfanylacetate
CID 23670823
2-(2,4-difluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724718
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
(2S)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107821920
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-(2,4-difluorophenyl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43224802

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanylacetate?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanylacetate (CID 7129456) is 2-(2,4-difluorophenyl)sulfanylacetate.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanylacetate?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanylacetate is O=C([O-])CSc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanylacetate?
The InChIKey is DGMMJRBTUKGZRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F2O2S/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/p-1.
What are the key properties of 2-(2,4-difluorophenyl)sulfanylacetate?
2-(2,4-difluorophenyl)sulfanylacetate has a molecular weight of 203.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanylacetate is sourced from PubChem (CID 7129456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).