1-chloro-3-ethylsulfanyl-5-fluorobenzene

C8H8ClFS — CID 55269937

IUPAC1-chloro-3-ethylsulfanyl-5-fluorobenzene
SMILESCCSc1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClFS/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5H,2H2,1H3
InChIKeyFTTKTXSDAXLUBM-UHFFFAOYSA-N
MW190.67 g/mol
LogP3.59
Rot. Bonds2

About 1-chloro-3-ethylsulfanyl-5-fluorobenzene

1-chloro-3-ethylsulfanyl-5-fluorobenzene (PubChem CID 55269937) has the molecular formula C8H8ClFS and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-chloro-3-ethylsulfanyl-5-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-ethylsulfanyl-5-fluorobenzene
PubChem CID55269937
Molecular FormulaC8H8ClFS
Molecular Weight190.67 g/mol
Exact Mass190.00
IUPAC Name1-chloro-3-ethylsulfanyl-5-fluorobenzene
SMILESCCSc1cc(F)cc(Cl)c1
InChIInChI=1S/C8H8ClFS/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5H,2H2,1H3
InChIKeyFTTKTXSDAXLUBM-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethylsulfanyl-5-fluorobenzene?
The IUPAC name of 1-chloro-3-ethylsulfanyl-5-fluorobenzene (CID 55269937) is 1-chloro-3-ethylsulfanyl-5-fluorobenzene.
What is the SMILES notation for 1-chloro-3-ethylsulfanyl-5-fluorobenzene?
The canonical SMILES for 1-chloro-3-ethylsulfanyl-5-fluorobenzene is CCSc1cc(F)cc(Cl)c1.
What is the InChIKey of 1-chloro-3-ethylsulfanyl-5-fluorobenzene?
The InChIKey is FTTKTXSDAXLUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFS/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5H,2H2,1H3.
What are the key properties of 1-chloro-3-ethylsulfanyl-5-fluorobenzene?
1-chloro-3-ethylsulfanyl-5-fluorobenzene has a molecular weight of 190.67 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethylsulfanyl-5-fluorobenzene is sourced from PubChem (CID 55269937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).