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

C8H8ClFS — CID 119009781

IUPAC1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene
SMILESCSc1c(C)cc(F)cc1Cl
InChIInChI=1S/C8H8ClFS/c1-5-3-6(10)4-7(9)8(5)11-2/h3-4H,1-2H3
InChIKeyXOTDSQBMUMFICD-UHFFFAOYSA-N
MW190.67 g/mol
LogP3.51
Rot. Bonds1

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

1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene (PubChem CID 119009781) has the molecular formula C8H8ClFS and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene
PubChem CID119009781
Molecular FormulaC8H8ClFS
Molecular Weight190.67 g/mol
Exact Mass190.00
IUPAC Name1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene
SMILESCSc1c(C)cc(F)cc1Cl
InChIInChI=1S/C8H8ClFS/c1-5-3-6(10)4-7(9)8(5)11-2/h3-4H,1-2H3
InChIKeyXOTDSQBMUMFICD-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-3-methyl-2-methylsulfanylbenzene?
The IUPAC name of 1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene (CID 119009781) is 1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene.
What is the SMILES notation for 1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene?
The canonical SMILES for 1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene is CSc1c(C)cc(F)cc1Cl.
What is the InChIKey of 1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene?
The InChIKey is XOTDSQBMUMFICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFS/c1-5-3-6(10)4-7(9)8(5)11-2/h3-4H,1-2H3.
What are the key properties of 1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene?
1-chloro-5-fluoro-3-methyl-2-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-3-methyl-2-methylsulfanylbenzene is sourced from PubChem (CID 119009781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).