2-(4-methylphenyl)sulfanyl-1-phenylethanone

C15H14OS — CID 4196848

IUPAC2-(4-methylphenyl)sulfanyl-1-phenylethanone
SMILESCc1ccc(SCC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14OS/c1-12-7-9-14(10-8-12)17-11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyWHROXXMOHVGXJU-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.97
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-1-phenylethanone

2-(4-methylphenyl)sulfanyl-1-phenylethanone (PubChem CID 4196848) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-phenylethanone
PubChem CID4196848
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2-(4-methylphenyl)sulfanyl-1-phenylethanone
SMILESCc1ccc(SCC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14OS/c1-12-7-9-14(10-8-12)17-11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyWHROXXMOHVGXJU-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)sulfanyl-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1-phenylethanone?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-phenylethanone (CID 4196848) is 2-(4-methylphenyl)sulfanyl-1-phenylethanone.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-phenylethanone?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-phenylethanone is Cc1ccc(SCC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-phenylethanone?
The InChIKey is WHROXXMOHVGXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-12-7-9-14(10-8-12)17-11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-phenylethanone?
2-(4-methylphenyl)sulfanyl-1-phenylethanone has a molecular weight of 242.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-phenylethanone is sourced from PubChem (CID 4196848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).