1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one

C11H12Cl2O2S — CID 64639669

IUPAC1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
SMILESCCS(=O)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O2S/c1-3-16(15)7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3
InChIKeyGBTNBETYUHTWDL-UHFFFAOYSA-N
MW279.19 g/mol
LogP3.33
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one

1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one (PubChem CID 64639669) has the molecular formula C11H12Cl2O2S and a molecular weight of 279.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
PubChem CID64639669
Molecular FormulaC11H12Cl2O2S
Molecular Weight279.19 g/mol
Exact Mass277.99
IUPAC Name1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
SMILESCCS(=O)C(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2O2S/c1-3-16(15)7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3
InChIKeyGBTNBETYUHTWDL-UHFFFAOYSA-N
XLogP3.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one
CID 64637609
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
1-(2,4-dichlorophenyl)-2-(hydroxymethyl)butan-1-one
CID 116923109
1-(2,4-dichlorophenyl)-2-(3-methylbutylamino)propan-1-one
CID 82100517
1-(2,4-dichlorophenyl)-2-(oxan-4-ylsulfinyl)propan-1-one
CID 64641187
1-(2,4-dichlorophenyl)-2-piperazin-1-ylbutan-1-one
CID 82136391
1-(2,4-dichlorophenyl)-2-(2-methylbutan-2-yloxy)propan-1-one
CID 43800592
1-(2,4-dichlorophenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 43799481
2-(butylamino)-1-(2,4-dichlorophenyl)propan-1-one
CID 82100503
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 63957045
1-(2,4-dichlorophenyl)-2-(2-ethoxyethoxy)propan-1-one
CID 43798400

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one (CID 64639669) is 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one is CCS(=O)C(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one?
The InChIKey is GBTNBETYUHTWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2S/c1-3-16(15)7(2)11(14)9-5-4-8(12)6-10(9)13/h4-7H,3H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one?
1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one has a molecular weight of 279.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one is sourced from PubChem (CID 64639669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).