4-(2-fluorophenyl)-2H-phthalazine-1-thione

C14H9FN2S — CID 106516295

IUPAC4-(2-fluorophenyl)-2H-phthalazine-1-thione
SMILESFc1ccccc1-c1n[nH]c(=S)c2ccccc12
InChIInChI=1S/C14H9FN2S/c15-12-8-4-3-7-11(12)13-9-5-1-2-6-10(9)14(18)17-16-13/h1-8H,(H,17,18)
InChIKeyRDKJTIFRGDSPSL-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.10
Rot. Bonds1

About 4-(2-fluorophenyl)-2H-phthalazine-1-thione

4-(2-fluorophenyl)-2H-phthalazine-1-thione (PubChem CID 106516295) has the molecular formula C14H9FN2S and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2H-phthalazine-1-thione.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2H-phthalazine-1-thione
PubChem CID106516295
Molecular FormulaC14H9FN2S
Molecular Weight256.31 g/mol
Exact Mass256.05
IUPAC Name4-(2-fluorophenyl)-2H-phthalazine-1-thione
SMILESFc1ccccc1-c1n[nH]c(=S)c2ccccc12
InChIInChI=1S/C14H9FN2S/c15-12-8-4-3-7-11(12)13-9-5-1-2-6-10(9)14(18)17-16-13/h1-8H,(H,17,18)
InChIKeyRDKJTIFRGDSPSL-UHFFFAOYSA-N
XLogP4.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.10
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

Phthalazine-1-thiol
CID 736370
4-(p-Tolyl)phthalazine-1-thiol
CID 727699
4-(4-Fluorophenyl)phthalazine-1-thiol
CID 2362835
4-Phenyl-phthalazine-1-thiol
CID 682602
4-benzyl-2H-phthalazine-1-thione
CID 12349813
2H-[1,2,4]Triazolo[3,4-a]phthalazine-3-thione, 6-(4-fluorophenyl)-
CID 6414666
4-Methylphthalazine-1-thiol
CID 1279882
4-Chloro-1,2-dihydrophthalazine-1-thione
CID 2780802
4-Mercapto-phthalazin-acetonitrile
CID 14322320
1-Phenyl-1,2-dihydro-phthalazine
CID 21814495
(RS)-1-(4-fluoro-phenyl)-1,2-dihydro-phthalazine
CID 23299707
1-(2,4-Difluorophenyl)-1,2-dihydrophthalazine
CID 23299794

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2H-phthalazine-1-thione?
The IUPAC name of 4-(2-fluorophenyl)-2H-phthalazine-1-thione (CID 106516295) is 4-(2-fluorophenyl)-2H-phthalazine-1-thione.
What is the SMILES notation for 4-(2-fluorophenyl)-2H-phthalazine-1-thione?
The canonical SMILES for 4-(2-fluorophenyl)-2H-phthalazine-1-thione is Fc1ccccc1-c1n[nH]c(=S)c2ccccc12.
What is the InChIKey of 4-(2-fluorophenyl)-2H-phthalazine-1-thione?
The InChIKey is RDKJTIFRGDSPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2S/c15-12-8-4-3-7-11(12)13-9-5-1-2-6-10(9)14(18)17-16-13/h1-8H,(H,17,18).
What are the key properties of 4-(2-fluorophenyl)-2H-phthalazine-1-thione?
4-(2-fluorophenyl)-2H-phthalazine-1-thione has a molecular weight of 256.31 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2H-phthalazine-1-thione is sourced from PubChem (CID 106516295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).