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

C10H6ClFN2S — CID 106521078

IUPAC4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione
SMILESFc1ccc(-c2cn[nH]c(=S)c2)cc1Cl
InChIInChI=1S/C10H6ClFN2S/c11-8-3-6(1-2-9(8)12)7-4-10(15)14-13-5-7/h1-5H,(H,14,15)
InChIKeyPLXGYOIVNOFRMM-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.60
Rot. Bonds1

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

4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione (PubChem CID 106521078) has the molecular formula C10H6ClFN2S and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione
PubChem CID106521078
Molecular FormulaC10H6ClFN2S
Molecular Weight240.69 g/mol
Exact Mass239.99
IUPAC Name4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione
SMILESFc1ccc(-c2cn[nH]c(=S)c2)cc1Cl
InChIInChI=1S/C10H6ClFN2S/c11-8-3-6(1-2-9(8)12)7-4-10(15)14-13-5-7/h1-5H,(H,14,15)
InChIKeyPLXGYOIVNOFRMM-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenyl)-1H-pyridazine-6-thione
CID 106517997
4-(2,3,4-trifluorophenyl)-1H-pyridazine-6-thione
CID 106517699
4-(2,4,5-trifluorophenyl)-1H-pyridazine-6-thione
CID 106520230
5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine
CID 141367860
5-(3-chloro-4-fluorophenyl)-3H-1,3,4-oxadiazole-2-thione
CID 82878925
4-(3,4-dichlorophenyl)-1H-pyridazin-6-one
CID 106516327
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
4-thiophen-3-yl-1H-pyridazine-6-thione
CID 106518491
4-chloro-5-(3,4-difluorophenyl)-1H-pyrazole
CID 61395009
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
6-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521056
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione (CID 106521078) is 4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione is Fc1ccc(-c2cn[nH]c(=S)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione?
The InChIKey is PLXGYOIVNOFRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2S/c11-8-3-6(1-2-9(8)12)7-4-10(15)14-13-5-7/h1-5H,(H,14,15).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione?
4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione has a molecular weight of 240.69 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1H-pyridazine-6-thione is sourced from PubChem (CID 106521078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).