1-ethylsulfanyl-4-fluorobenzene

C8H9FS — CID 5324153

IUPAC1-ethylsulfanyl-4-fluorobenzene
SMILESCCSc1ccc(F)cc1
InChIInChI=1S/C8H9FS/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKeyZWXGNGNLEAAUST-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.94
Rot. Bonds2

About 1-ethylsulfanyl-4-fluorobenzene

1-ethylsulfanyl-4-fluorobenzene (PubChem CID 5324153) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-fluorobenzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-fluorobenzene
PubChem CID5324153
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name1-ethylsulfanyl-4-fluorobenzene
SMILESCCSc1ccc(F)cc1
InChIInChI=1S/C8H9FS/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKeyZWXGNGNLEAAUST-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-fluorobenzene?
The IUPAC name of 1-ethylsulfanyl-4-fluorobenzene (CID 5324153) is 1-ethylsulfanyl-4-fluorobenzene.
What is the SMILES notation for 1-ethylsulfanyl-4-fluorobenzene?
The canonical SMILES for 1-ethylsulfanyl-4-fluorobenzene is CCSc1ccc(F)cc1.
What is the InChIKey of 1-ethylsulfanyl-4-fluorobenzene?
The InChIKey is ZWXGNGNLEAAUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3.
What are the key properties of 1-ethylsulfanyl-4-fluorobenzene?
1-ethylsulfanyl-4-fluorobenzene has a molecular weight of 156.22 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-fluorobenzene is sourced from PubChem (CID 5324153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).