1-(4-fluorophenyl)imidazole-4-thiol

C9H7FN2S — CID 22067399

IUPAC1-(4-fluorophenyl)imidazole-4-thiol
SMILESFc1ccc(-n2cnc(S)c2)cc1
InChIInChI=1S/C9H7FN2S/c10-7-1-3-8(4-2-7)12-5-9(13)11-6-12/h1-6,13H
InChIKeyPMHUCHHMHGJGOL-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.30
Rot. Bonds1

About 1-(4-fluorophenyl)imidazole-4-thiol

1-(4-fluorophenyl)imidazole-4-thiol (PubChem CID 22067399) has the molecular formula C9H7FN2S and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)imidazole-4-thiol.

Molecular Properties

Compound Name1-(4-fluorophenyl)imidazole-4-thiol
PubChem CID22067399
Molecular FormulaC9H7FN2S
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Name1-(4-fluorophenyl)imidazole-4-thiol
SMILESFc1ccc(-n2cnc(S)c2)cc1
InChIInChI=1S/C9H7FN2S/c10-7-1-3-8(4-2-7)12-5-9(13)11-6-12/h1-6,13H
InChIKeyPMHUCHHMHGJGOL-UHFFFAOYSA-N
XLogP2.30
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(4-fluorophenyl)imidazole-4-thiol?
The IUPAC name of 1-(4-fluorophenyl)imidazole-4-thiol (CID 22067399) is 1-(4-fluorophenyl)imidazole-4-thiol.
What is the SMILES notation for 1-(4-fluorophenyl)imidazole-4-thiol?
The canonical SMILES for 1-(4-fluorophenyl)imidazole-4-thiol is Fc1ccc(-n2cnc(S)c2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)imidazole-4-thiol?
The InChIKey is PMHUCHHMHGJGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S/c10-7-1-3-8(4-2-7)12-5-9(13)11-6-12/h1-6,13H.
What are the key properties of 1-(4-fluorophenyl)imidazole-4-thiol?
1-(4-fluorophenyl)imidazole-4-thiol has a molecular weight of 194.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)imidazole-4-thiol is sourced from PubChem (CID 22067399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).