1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone

C16H14O2S — CID 520243

IUPAC1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H14O2S/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
InChIKeyJBDYORUCEWAWQR-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.24
Rot. Bonds4

About 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone

1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone (PubChem CID 520243) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
PubChem CID520243
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C16H14O2S/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
InChIKeyJBDYORUCEWAWQR-UHFFFAOYSA-N
XLogP4.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-iodophenyl)sulfanylphenyl]ethanone
CID 71026335
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium
CID 44622255
4-(4-acetylphenyl)sulfanylbenzenesulfonic acid
CID 172764103
[4-(4-acetylphenyl)sulfanylphenyl]sulfanium hexafluorophosphate
CID 142605531
1-(4-aminosulfanylphenyl)ethanone
CID 129026728
1-[4-[4-(2-methylpropyl)phenyl]sulfanylphenyl]ethanone
CID 57238038
1-(4-aminosulfanylphenyl)ethanone;ethane
CID 142198565
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
bis[4-(4-acetylphenyl)sulfanylphenyl]-[4-[4-(2-oxopropyl)phenyl]sulfanylphenyl]sulfanium
CID 145277248
1-[4-[4-(2-methylsulfanylbutan-2-yl)phenyl]sulfanylphenyl]ethanone
CID 118358056

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone (CID 520243) is 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone is CC(=O)c1ccc(Sc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone?
The InChIKey is JBDYORUCEWAWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3.
What are the key properties of 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone?
1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone has a molecular weight of 270.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone is sourced from PubChem (CID 520243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).