3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione

C11H9FN2S — CID 106514577

IUPAC3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione
SMILESCc1ccc(F)cc1-c1ccc(=S)[nH]n1
InChIInChI=1S/C11H9FN2S/c1-7-2-3-8(12)6-9(7)10-4-5-11(15)14-13-10/h2-6H,1H3,(H,14,15)
InChIKeyCQDOKLOFVIXQGX-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.25
Rot. Bonds1

About 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione

3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione (PubChem CID 106514577) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione
PubChem CID106514577
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione
SMILESCc1ccc(F)cc1-c1ccc(=S)[nH]n1
InChIInChI=1S/C11H9FN2S/c1-7-2-3-8(12)6-9(7)10-4-5-11(15)14-13-10/h2-6H,1H3,(H,14,15)
InChIKeyCQDOKLOFVIXQGX-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.25
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

5-(5-fluoro-2-methylphenyl)-1H-pyrazole
CID 89211129
4-(4-fluoro-2-methylphenyl)-2H-phthalazine-1-thione
CID 106514973
4-chloro-6-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952149
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione
CID 83241656
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
5-(5-fluoro-2-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524488
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
CID 91665782
[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106514596

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione (CID 106514577) is 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione is Cc1ccc(F)cc1-c1ccc(=S)[nH]n1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione?
The InChIKey is CQDOKLOFVIXQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c1-7-2-3-8(12)6-9(7)10-4-5-11(15)14-13-10/h2-6H,1H3,(H,14,15).
What are the key properties of 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione?
3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione has a molecular weight of 220.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione is sourced from PubChem (CID 106514577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).