1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone

C15H13ClOS — CID 2745099

IUPAC1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClOS/c1-11-2-8-14(9-3-11)18-10-15(17)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyVIOFDVOBFKTQBK-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.62
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone

1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 2745099) has the molecular formula C15H13ClOS and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID2745099
Molecular FormulaC15H13ClOS
Molecular Weight276.79 g/mol
Exact Mass276.04
IUPAC Name1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClOS/c1-11-2-8-14(9-3-11)18-10-15(17)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyVIOFDVOBFKTQBK-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone (CID 2745099) is 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is VIOFDVOBFKTQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClOS/c1-11-2-8-14(9-3-11)18-10-15(17)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone?
1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 276.79 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 2745099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).