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

C14H11IOS — CID 71026335

IUPAC1-[4-(4-iodophenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(I)cc2)cc1
InChIInChI=1S/C14H11IOS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,1H3
InChIKeyYTDUVGAODXVWQN-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.64
Rot. Bonds3

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

1-[4-(4-iodophenyl)sulfanylphenyl]ethanone (PubChem CID 71026335) has the molecular formula C14H11IOS and a molecular weight of 354.21 g/mol. Its IUPAC name is 1-[4-(4-iodophenyl)sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-iodophenyl)sulfanylphenyl]ethanone
PubChem CID71026335
Molecular FormulaC14H11IOS
Molecular Weight354.21 g/mol
Exact Mass353.96
IUPAC Name1-[4-(4-iodophenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(I)cc2)cc1
InChIInChI=1S/C14H11IOS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,1H3
InChIKeyYTDUVGAODXVWQN-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243
ethane;1-(4-iodophenyl)ethanone
CID 159760217
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium
CID 44622255
1,4-bis[(4-iodophenyl)sulfanyl]benzene
CID 102405852
4-(4-acetylphenyl)sulfanylbenzenesulfonic acid
CID 172764103
[4-(4-acetylphenyl)sulfanylphenyl]sulfanium hexafluorophosphate
CID 142605531
1-(4-aminosulfanylphenyl)ethanone
CID 129026728
S-(4-iodophenyl) ethanethioate
CID 11033177
2-bromo-1-(4-iodophenyl)ethanone;1-(4-iodophenyl)ethanone
CID 159611000
1-[4-[4-(2-methylpropyl)phenyl]sulfanylphenyl]ethanone
CID 57238038
1-(4-aminosulfanylphenyl)ethanone;ethane
CID 142198565

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-iodophenyl)sulfanylphenyl]ethanone?
The IUPAC name of 1-[4-(4-iodophenyl)sulfanylphenyl]ethanone (CID 71026335) is 1-[4-(4-iodophenyl)sulfanylphenyl]ethanone.
What is the SMILES notation for 1-[4-(4-iodophenyl)sulfanylphenyl]ethanone?
The canonical SMILES for 1-[4-(4-iodophenyl)sulfanylphenyl]ethanone is CC(=O)c1ccc(Sc2ccc(I)cc2)cc1.
What is the InChIKey of 1-[4-(4-iodophenyl)sulfanylphenyl]ethanone?
The InChIKey is YTDUVGAODXVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IOS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,1H3.
What are the key properties of 1-[4-(4-iodophenyl)sulfanylphenyl]ethanone?
1-[4-(4-iodophenyl)sulfanylphenyl]ethanone has a molecular weight of 354.21 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-iodophenyl)sulfanylphenyl]ethanone is sourced from PubChem (CID 71026335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).