4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione

C15H11FN2S — CID 106514197

IUPAC4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione
SMILESCc1ccc(F)c(-c2n[nH]c(=S)c3ccccc23)c1
InChIInChI=1S/C15H11FN2S/c1-9-6-7-13(16)12(8-9)14-10-4-2-3-5-11(10)15(19)18-17-14/h2-8H,1H3,(H,18,19)
InChIKeyCUKIQYXOFKBANQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.41
Rot. Bonds1

About 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione

4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione (PubChem CID 106514197) has the molecular formula C15H11FN2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione
PubChem CID106514197
Molecular FormulaC15H11FN2S
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Name4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione
SMILESCc1ccc(F)c(-c2n[nH]c(=S)c3ccccc23)c1
InChIInChI=1S/C15H11FN2S/c1-9-6-7-13(16)12(8-9)14-10-4-2-3-5-11(10)15(19)18-17-14/h2-8H,1H3,(H,18,19)
InChIKeyCUKIQYXOFKBANQ-UHFFFAOYSA-N
XLogP4.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.41
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-(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
4-Methylphthalazine-1-thiol
CID 1279882
(RS)-1-(4-fluoro-phenyl)-1,2-dihydro-phthalazine
CID 23299707
(1S)-1-(4-fluorophenyl)-1,2-dihydrophthalazine
CID 70002471
4-[(2-fluorophenyl)methyl]-1-methylidene-2H-phthalazine
CID 88987139
5-[[(4E)-4-ethylidene-3H-phthalazin-1-yl]methyl]-2-fluorobenzonitrile
CID 149177086
4-(trifluoromethyl)-2H-phthalazine-1-thione
CID 168951022
8-Fluoro-4-methyl-1,2-dihydrophthalazine
CID 174243508
1,1-dibutyl-4-phenyl-2H-phthalazine
CID 15458063

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione?
The IUPAC name of 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione (CID 106514197) is 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione.
What is the SMILES notation for 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione?
The canonical SMILES for 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione is Cc1ccc(F)c(-c2n[nH]c(=S)c3ccccc23)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione?
The InChIKey is CUKIQYXOFKBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S/c1-9-6-7-13(16)12(8-9)14-10-4-2-3-5-11(10)15(19)18-17-14/h2-8H,1H3,(H,18,19).
What are the key properties of 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione?
4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione has a molecular weight of 270.33 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenyl)-2H-phthalazine-1-thione is sourced from PubChem (CID 106514197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).