1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one

C10H11FOS — CID 117034104

IUPAC1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one
SMILESCC(=O)CSc1ccc(F)c(C)c1
InChIInChI=1S/C10H11FOS/c1-7-5-9(3-4-10(7)11)13-6-8(2)12/h3-5H,6H2,1-2H3
InChIKeyFTYGRVTZLMKONR-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one

1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one (PubChem CID 117034104) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one
PubChem CID117034104
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one
SMILESCC(=O)CSc1ccc(F)c(C)c1
InChIInChI=1S/C10H11FOS/c1-7-5-9(3-4-10(7)11)13-6-8(2)12/h3-5H,6H2,1-2H3
InChIKeyFTYGRVTZLMKONR-UHFFFAOYSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-3,5-dimethylphenyl)sulfanylpropan-2-one
CID 118534705
(4-fluoro-3-methylphenyl)sulfanylmethanethiol
CID 117033691
methyl 3-(4-fluoro-3-methylphenyl)sulfanylpropanoate
CID 117034036
1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
CID 141268136
1-(4-fluoro-3-methylphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072671
1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene
CID 91655286
2-[2-(4-fluoro-3-methylphenyl)sulfanylethoxy]ethanamine
CID 94685068
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
5-(3,4-difluorophenyl)sulfanylpentan-2-one
CID 43425972
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
1-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanylpropan-2-one
CID 126709678
1-[4-(2-oxopropylsulfanyl)phenyl]butan-1-one
CID 82164674

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one (CID 117034104) is 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one is CC(=O)CSc1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one?
The InChIKey is FTYGRVTZLMKONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c1-7-5-9(3-4-10(7)11)13-6-8(2)12/h3-5H,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one?
1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one has a molecular weight of 198.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 117034104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).