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

C14H13NOS — CID 14930448

IUPAC1-[4-(4-aminophenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C14H13NOS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,15H2,1H3
InChIKeyHUQJWQVETOTHCM-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.62
Rot. Bonds3

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

1-[4-(4-aminophenyl)sulfanylphenyl]ethanone (PubChem CID 14930448) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)sulfanylphenyl]ethanone
PubChem CID14930448
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name1-[4-(4-aminophenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C14H13NOS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,15H2,1H3
InChIKeyHUQJWQVETOTHCM-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)sulfanylphenyl]ethanone?
The IUPAC name of 1-[4-(4-aminophenyl)sulfanylphenyl]ethanone (CID 14930448) is 1-[4-(4-aminophenyl)sulfanylphenyl]ethanone.
What is the SMILES notation for 1-[4-(4-aminophenyl)sulfanylphenyl]ethanone?
The canonical SMILES for 1-[4-(4-aminophenyl)sulfanylphenyl]ethanone is CC(=O)c1ccc(Sc2ccc(N)cc2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)sulfanylphenyl]ethanone?
The InChIKey is HUQJWQVETOTHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,15H2,1H3.
What are the key properties of 1-[4-(4-aminophenyl)sulfanylphenyl]ethanone?
1-[4-(4-aminophenyl)sulfanylphenyl]ethanone has a molecular weight of 243.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)sulfanylphenyl]ethanone is sourced from PubChem (CID 14930448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).