1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone

C16H15FOS — CID 29051789

IUPAC1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1Sc1ccc(C)c(C)c1
InChIInChI=1S/C16H15FOS/c1-10-7-8-13(9-11(10)2)19-15-6-4-5-14(17)16(15)12(3)18/h4-9H,1-3H3
InChIKeyDPPUZYIFZCTGSY-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.80
Rot. Bonds3

About 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone

1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone (PubChem CID 29051789) has the molecular formula C16H15FOS and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone
PubChem CID29051789
Molecular FormulaC16H15FOS
Molecular Weight274.36 g/mol
Exact Mass274.08
IUPAC Name1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1Sc1ccc(C)c(C)c1
InChIInChI=1S/C16H15FOS/c1-10-7-8-13(9-11(10)2)19-15-6-4-5-14(17)16(15)12(3)18/h4-9H,1-3H3
InChIKeyDPPUZYIFZCTGSY-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]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-(3,4-dimethylphenyl)sulfanyl-3-fluoro-2-nitrobenzene
CID 63402216
2-fluoro-6-phenylsulfanylbenzoic acid
CID 75356227
2-(3-bromophenyl)sulfanyl-6-fluorobenzoic acid
CID 79511060
methyl 2-amino-3-(3,4-dimethylphenyl)sulfanylbenzoate
CID 115547462
1-(2-fluoro-6-iodophenyl)ethanone
CID 20777138
4-(3,4-dimethylphenyl)sulfanyl-3-fluoroaniline
CID 28972791
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
(1S)-1-[4-(3,4-dimethylphenyl)sulfanyl-3-fluorophenyl]ethanol
CID 55240041
2-acetyl-3-(4-chlorophenyl)sulfanylbenzoic acid
CID 91875777
2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline
CID 113458839
2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 78981401
(1S)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 29040516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone (CID 29051789) is 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1Sc1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone?
The InChIKey is DPPUZYIFZCTGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FOS/c1-10-7-8-13(9-11(10)2)19-15-6-4-5-14(17)16(15)12(3)18/h4-9H,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone?
1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone has a molecular weight of 274.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanone is sourced from PubChem (CID 29051789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).