2-(4-fluorophenyl)ethanethiol

C8H9FS — CID 18668729

IUPAC2-(4-fluorophenyl)ethanethiol
SMILESFc1ccc(CCS)cc1
InChIInChI=1S/C8H9FS/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKeyVFYQSLCBRGDSNO-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.30
Rot. Bonds2

About 2-(4-fluorophenyl)ethanethiol

2-(4-fluorophenyl)ethanethiol (PubChem CID 18668729) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethanethiol.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethanethiol
PubChem CID18668729
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name2-(4-fluorophenyl)ethanethiol
SMILESFc1ccc(CCS)cc1
InChIInChI=1S/C8H9FS/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKeyVFYQSLCBRGDSNO-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethanethiol?
The IUPAC name of 2-(4-fluorophenyl)ethanethiol (CID 18668729) is 2-(4-fluorophenyl)ethanethiol.
What is the SMILES notation for 2-(4-fluorophenyl)ethanethiol?
The canonical SMILES for 2-(4-fluorophenyl)ethanethiol is Fc1ccc(CCS)cc1.
What is the InChIKey of 2-(4-fluorophenyl)ethanethiol?
The InChIKey is VFYQSLCBRGDSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)ethanethiol?
2-(4-fluorophenyl)ethanethiol has a molecular weight of 156.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethanethiol is sourced from PubChem (CID 18668729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).