1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

C16H15FOS — CID 60892959

IUPAC1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)Cc1ccccc1F
InChIInChI=1S/C16H15FOS/c1-12-6-2-5-9-16(12)19-11-14(18)10-13-7-3-4-8-15(13)17/h2-9H,10-11H2,1H3
InChIKeyMJMXEMSETWKTCK-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.04
Rot. Bonds5

About 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (PubChem CID 60892959) has the molecular formula C16H15FOS and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
PubChem CID60892959
Molecular FormulaC16H15FOS
Molecular Weight274.36 g/mol
Exact Mass274.08
IUPAC Name1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1ccccc1SCC(=O)Cc1ccccc1F
InChIInChI=1S/C16H15FOS/c1-12-6-2-5-9-16(12)19-11-14(18)10-13-7-3-4-8-15(13)17/h2-9H,10-11H2,1H3
InChIKeyMJMXEMSETWKTCK-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one 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-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 114347272
1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 82919916
1-(2-fluoro-3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 104793477
1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095260
1-(4-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093825
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-(2-fluorophenyl)-3-(3-methylbutan-2-ylsulfanyl)propan-2-one
CID 107752635
1-cyclopropyl-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095262
1-(2-fluorophenyl)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-one
CID 43802153
2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
1-(2-methylphenyl)sulfanyldecan-2-one
CID 66095469

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (CID 60892959) is 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is Cc1ccccc1SCC(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The InChIKey is MJMXEMSETWKTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FOS/c1-12-6-2-5-9-16(12)19-11-14(18)10-13-7-3-4-8-15(13)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one has a molecular weight of 274.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 60892959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).