2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone

C16H13F3OS — CID 66095873

IUPAC2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccccc1SCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3OS/c1-11-4-2-3-5-15(11)21-10-14(20)12-6-8-13(9-7-12)16(17,18)19/h2-9H,10H2,1H3
InChIKeyFRPNHIDZIQXLSJ-UHFFFAOYSA-N
MW310.34 g/mol
LogP4.99
Rot. Bonds4

About 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone

2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 66095873) has the molecular formula C16H13F3OS and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID66095873
Molecular FormulaC16H13F3OS
Molecular Weight310.34 g/mol
Exact Mass310.06
IUPAC Name2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccccc1SCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3OS/c1-11-4-2-3-5-15(11)21-10-14(20)12-6-8-13(9-7-12)16(17,18)19/h2-9H,10H2,1H3
InChIKeyFRPNHIDZIQXLSJ-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 17494927
1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone
CID 122399699
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707642
2-(2-hydroxyphenyl)sulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 141495057
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylethanone
CID 61230240
(2R)-4-(2-methylphenyl)sulfanyl-2-[4-(trifluoromethyl)phenoxy]butanoic acid;4-(2-methylphenyl)sulfanyl-2-[4-(trifluoromethyl)phenoxy]butanoic acid
CID 158990644
2-(2,6-dimethylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247580
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 43413759

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone (CID 66095873) is 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone is Cc1ccccc1SCC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is FRPNHIDZIQXLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3OS/c1-11-4-2-3-5-15(11)21-10-14(20)12-6-8-13(9-7-12)16(17,18)19/h2-9H,10H2,1H3.
What are the key properties of 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 310.34 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 66095873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).