1-phenyl-3-phenylsulfanylpropan-2-one

C15H14OS — CID 12727405

IUPAC1-phenyl-3-phenylsulfanylpropan-2-one
SMILESO=C(CSc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14OS/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyWFWXYFCAUXDZBZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.59
Rot. Bonds5

About 1-phenyl-3-phenylsulfanylpropan-2-one

1-phenyl-3-phenylsulfanylpropan-2-one (PubChem CID 12727405) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-phenyl-3-phenylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-phenyl-3-phenylsulfanylpropan-2-one
PubChem CID12727405
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name1-phenyl-3-phenylsulfanylpropan-2-one
SMILESO=C(CSc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14OS/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h1-10H,11-12H2
InChIKeyWFWXYFCAUXDZBZ-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-phenylsulfanylpropan-2-one?
The IUPAC name of 1-phenyl-3-phenylsulfanylpropan-2-one (CID 12727405) is 1-phenyl-3-phenylsulfanylpropan-2-one.
What is the SMILES notation for 1-phenyl-3-phenylsulfanylpropan-2-one?
The canonical SMILES for 1-phenyl-3-phenylsulfanylpropan-2-one is O=C(CSc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-phenylsulfanylpropan-2-one?
The InChIKey is WFWXYFCAUXDZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h1-10H,11-12H2.
What are the key properties of 1-phenyl-3-phenylsulfanylpropan-2-one?
1-phenyl-3-phenylsulfanylpropan-2-one has a molecular weight of 242.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenylsulfanylpropan-2-one is sourced from PubChem (CID 12727405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).