1-phenyl-2-phenylsulfanylpropan-1-one

C15H14OS — CID 3405182

IUPAC1-phenyl-2-phenylsulfanylpropan-1-one
SMILESCC(Sc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14OS/c1-12(17-14-10-6-3-7-11-14)15(16)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyWVUCTGTYKZMBPH-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.05
Rot. Bonds4

About 1-phenyl-2-phenylsulfanylpropan-1-one

1-phenyl-2-phenylsulfanylpropan-1-one (PubChem CID 3405182) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-phenyl-2-phenylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-phenyl-2-phenylsulfanylpropan-1-one
PubChem CID3405182
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name1-phenyl-2-phenylsulfanylpropan-1-one
SMILESCC(Sc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C15H14OS/c1-12(17-14-10-6-3-7-11-14)15(16)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyWVUCTGTYKZMBPH-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-phenylsulfanylpropan-1-one?
The IUPAC name of 1-phenyl-2-phenylsulfanylpropan-1-one (CID 3405182) is 1-phenyl-2-phenylsulfanylpropan-1-one.
What is the SMILES notation for 1-phenyl-2-phenylsulfanylpropan-1-one?
The canonical SMILES for 1-phenyl-2-phenylsulfanylpropan-1-one is CC(Sc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-phenylsulfanylpropan-1-one?
The InChIKey is WVUCTGTYKZMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-12(17-14-10-6-3-7-11-14)15(16)13-8-4-2-5-9-13/h2-12H,1H3.
What are the key properties of 1-phenyl-2-phenylsulfanylpropan-1-one?
1-phenyl-2-phenylsulfanylpropan-1-one has a molecular weight of 242.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-phenylsulfanylpropan-1-one is sourced from PubChem (CID 3405182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).