5-phenyl-1-phenylsulfanylpentan-2-one

C17H18OS — CID 10869373

IUPAC5-phenyl-1-phenylsulfanylpentan-2-one
SMILESO=C(CCCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C17H18OS/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13H,7,10-11,14H2
InChIKeyBIBSSTQKWWVLKW-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.37
Rot. Bonds7

About 5-phenyl-1-phenylsulfanylpentan-2-one

5-phenyl-1-phenylsulfanylpentan-2-one (PubChem CID 10869373) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-phenyl-1-phenylsulfanylpentan-2-one.

Molecular Properties

Compound Name5-phenyl-1-phenylsulfanylpentan-2-one
PubChem CID10869373
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name5-phenyl-1-phenylsulfanylpentan-2-one
SMILESO=C(CCCc1ccccc1)CSc1ccccc1
InChIInChI=1S/C17H18OS/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13H,7,10-11,14H2
InChIKeyBIBSSTQKWWVLKW-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-phenylsulfanylpentan-2-one?
The IUPAC name of 5-phenyl-1-phenylsulfanylpentan-2-one (CID 10869373) is 5-phenyl-1-phenylsulfanylpentan-2-one.
What is the SMILES notation for 5-phenyl-1-phenylsulfanylpentan-2-one?
The canonical SMILES for 5-phenyl-1-phenylsulfanylpentan-2-one is O=C(CCCc1ccccc1)CSc1ccccc1.
What is the InChIKey of 5-phenyl-1-phenylsulfanylpentan-2-one?
The InChIKey is BIBSSTQKWWVLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c18-16(14-19-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15/h1-6,8-9,12-13H,7,10-11,14H2.
What are the key properties of 5-phenyl-1-phenylsulfanylpentan-2-one?
5-phenyl-1-phenylsulfanylpentan-2-one has a molecular weight of 270.40 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-phenylsulfanylpentan-2-one is sourced from PubChem (CID 10869373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).