3-(4-fluorophenyl)-1H-pyridazine-6-thione

C10H7FN2S — CID 51358730

IUPAC3-(4-fluorophenyl)-1H-pyridazine-6-thione
SMILESFc1ccc(-c2ccc(=S)[nH]n2)cc1
InChIInChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
InChIKeyTXXAXYKLPACRHD-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.95
Rot. Bonds1

About 3-(4-fluorophenyl)-1H-pyridazine-6-thione

3-(4-fluorophenyl)-1H-pyridazine-6-thione (PubChem CID 51358730) has the molecular formula C10H7FN2S and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1H-pyridazine-6-thione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1H-pyridazine-6-thione
PubChem CID51358730
Molecular FormulaC10H7FN2S
Molecular Weight206.25 g/mol
Exact Mass206.03
IUPAC Name3-(4-fluorophenyl)-1H-pyridazine-6-thione
SMILESFc1ccc(-c2ccc(=S)[nH]n2)cc1
InChIInChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
InChIKeyTXXAXYKLPACRHD-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-1H-pyridazine-6-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1H-pyridazine-6-thione?
The IUPAC name of 3-(4-fluorophenyl)-1H-pyridazine-6-thione (CID 51358730) is 3-(4-fluorophenyl)-1H-pyridazine-6-thione.
What is the SMILES notation for 3-(4-fluorophenyl)-1H-pyridazine-6-thione?
The canonical SMILES for 3-(4-fluorophenyl)-1H-pyridazine-6-thione is Fc1ccc(-c2ccc(=S)[nH]n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1H-pyridazine-6-thione?
The InChIKey is TXXAXYKLPACRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14).
What are the key properties of 3-(4-fluorophenyl)-1H-pyridazine-6-thione?
3-(4-fluorophenyl)-1H-pyridazine-6-thione has a molecular weight of 206.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1H-pyridazine-6-thione is sourced from PubChem (CID 51358730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).