4-fluoro-2-methyl-1-methylsulfanylbenzene

C8H9FS — CID 53414601

IUPAC4-fluoro-2-methyl-1-methylsulfanylbenzene
SMILESCSc1ccc(F)cc1C
InChIInChI=1S/C8H9FS/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
InChIKeyFOFFDGCRWRZZBY-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.86
Rot. Bonds1

About 4-fluoro-2-methyl-1-methylsulfanylbenzene

4-fluoro-2-methyl-1-methylsulfanylbenzene (PubChem CID 53414601) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-methylsulfanylbenzene.

Molecular Properties

Compound Name4-fluoro-2-methyl-1-methylsulfanylbenzene
PubChem CID53414601
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name4-fluoro-2-methyl-1-methylsulfanylbenzene
SMILESCSc1ccc(F)cc1C
InChIInChI=1S/C8H9FS/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
InChIKeyFOFFDGCRWRZZBY-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-1-(1,2,2-trifluoroethylsulfanyl)benzene
CID 175022651
(4-fluoro-2-methylphenyl)sulfanylmethanamine
CID 117032403
4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene
CID 146649535
2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
CID 82505973
2-(4-fluoro-2-methylphenyl)sulfanylacetonitrile
CID 117033959
(4-fluoro-2-methylphenyl) propanedithioate
CID 129075399
3-(4-fluoro-2-methylphenyl)sulfanylbutan-1-amine
CID 117032656
2-(4-fluoro-2-methylphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035470
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
4-fluoro-2-methylsulfanylphenol
CID 13199340
1-(5-fluoro-2-methylphenyl)-2-methylsulfanylethanol
CID 62791337
1-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutan-1-ol
CID 103090072

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1-methylsulfanylbenzene?
The IUPAC name of 4-fluoro-2-methyl-1-methylsulfanylbenzene (CID 53414601) is 4-fluoro-2-methyl-1-methylsulfanylbenzene.
What is the SMILES notation for 4-fluoro-2-methyl-1-methylsulfanylbenzene?
The canonical SMILES for 4-fluoro-2-methyl-1-methylsulfanylbenzene is CSc1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-1-methylsulfanylbenzene?
The InChIKey is FOFFDGCRWRZZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3.
What are the key properties of 4-fluoro-2-methyl-1-methylsulfanylbenzene?
4-fluoro-2-methyl-1-methylsulfanylbenzene has a molecular weight of 156.22 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1-methylsulfanylbenzene is sourced from PubChem (CID 53414601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).