1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene

C8H8ClFS — CID 91881170

IUPAC1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene
SMILESCSc1cc(F)cc(Cl)c1C
InChIInChI=1S/C8H8ClFS/c1-5-7(9)3-6(10)4-8(5)11-2/h3-4H,1-2H3
InChIKeyZPHLUHBCLHUSDI-UHFFFAOYSA-N
MW190.67 g/mol
LogP3.51
Rot. Bonds1

About 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene

1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene (PubChem CID 91881170) has the molecular formula C8H8ClFS and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene
PubChem CID91881170
Molecular FormulaC8H8ClFS
Molecular Weight190.67 g/mol
Exact Mass190.00
IUPAC Name1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene
SMILESCSc1cc(F)cc(Cl)c1C
InChIInChI=1S/C8H8ClFS/c1-5-7(9)3-6(10)4-8(5)11-2/h3-4H,1-2H3
InChIKeyZPHLUHBCLHUSDI-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene?
The IUPAC name of 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene (CID 91881170) is 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene.
What is the SMILES notation for 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene?
The canonical SMILES for 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene is CSc1cc(F)cc(Cl)c1C.
What is the InChIKey of 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene?
The InChIKey is ZPHLUHBCLHUSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFS/c1-5-7(9)3-6(10)4-8(5)11-2/h3-4H,1-2H3.
What are the key properties of 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene?
1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene has a molecular weight of 190.67 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-2-methyl-3-methylsulfanylbenzene is sourced from PubChem (CID 91881170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).