2-fluoro-1-methyl-4-methylsulfanylbenzene

C8H9FS — CID 53414492

IUPAC2-fluoro-1-methyl-4-methylsulfanylbenzene
SMILESCSc1ccc(C)c(F)c1
InChIInChI=1S/C8H9FS/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChIKeyGXBXPURGSKUHHB-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.86
Rot. Bonds1

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

2-fluoro-1-methyl-4-methylsulfanylbenzene (PubChem CID 53414492) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-methylsulfanylbenzene
PubChem CID53414492
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name2-fluoro-1-methyl-4-methylsulfanylbenzene
SMILESCSc1ccc(C)c(F)c1
InChIInChI=1S/C8H9FS/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3
InChIKeyGXBXPURGSKUHHB-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-methylsulfanylbenzene?
The IUPAC name of 2-fluoro-1-methyl-4-methylsulfanylbenzene (CID 53414492) is 2-fluoro-1-methyl-4-methylsulfanylbenzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-methylsulfanylbenzene?
The canonical SMILES for 2-fluoro-1-methyl-4-methylsulfanylbenzene is CSc1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-1-methyl-4-methylsulfanylbenzene?
The InChIKey is GXBXPURGSKUHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3.
What are the key properties of 2-fluoro-1-methyl-4-methylsulfanylbenzene?
2-fluoro-1-methyl-4-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 2-fluoro-1-methyl-4-methylsulfanylbenzene is sourced from PubChem (CID 53414492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).