2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one

C15H13ClOS — CID 10468721

IUPAC2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one
SMILESCC(Sc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C15H13ClOS/c1-11(15(17)12-5-3-2-4-6-12)18-14-9-7-13(16)8-10-14/h2-11H,1H3
InChIKeyNZXWVKZAUHOQGA-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.70
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one

2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one (PubChem CID 10468721) has the molecular formula C15H13ClOS and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one
PubChem CID10468721
Molecular FormulaC15H13ClOS
Molecular Weight276.79 g/mol
Exact Mass276.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one
SMILESCC(Sc1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C15H13ClOS/c1-11(15(17)12-5-3-2-4-6-12)18-14-9-7-13(16)8-10-14/h2-11H,1H3
InChIKeyNZXWVKZAUHOQGA-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one (CID 10468721) is 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one is CC(Sc1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one?
The InChIKey is NZXWVKZAUHOQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClOS/c1-11(15(17)12-5-3-2-4-6-12)18-14-9-7-13(16)8-10-14/h2-11H,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one?
2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one has a molecular weight of 276.79 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-one is sourced from PubChem (CID 10468721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).