1-[(4-fluorophenyl)methylsulfanyl]phthalazine

C15H11FN2S — CID 51112625

IUPAC1-[(4-fluorophenyl)methylsulfanyl]phthalazine
SMILESFc1ccc(CSc2nncc3ccccc23)cc1
InChIInChI=1S/C15H11FN2S/c16-13-7-5-11(6-8-13)10-19-15-14-4-2-1-3-12(14)9-17-18-15/h1-9H,10H2
InChIKeyPLBGDPJHLAHKDG-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.06
Rot. Bonds3

About 1-[(4-fluorophenyl)methylsulfanyl]phthalazine

1-[(4-fluorophenyl)methylsulfanyl]phthalazine (PubChem CID 51112625) has the molecular formula C15H11FN2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfanyl]phthalazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfanyl]phthalazine
PubChem CID51112625
Molecular FormulaC15H11FN2S
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Name1-[(4-fluorophenyl)methylsulfanyl]phthalazine
SMILESFc1ccc(CSc2nncc3ccccc23)cc1
InChIInChI=1S/C15H11FN2S/c16-13-7-5-11(6-8-13)10-19-15-14-4-2-1-3-12(14)9-17-18-15/h1-9H,10H2
InChIKeyPLBGDPJHLAHKDG-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Phenylphthalazinylthio)ethanenitrile
CID 6405335
Phthalazine, 1-(phenylthio)-
CID 6410698
1-Butylsulfanyl-4-phenylphthalazine
CID 2945119
1-Methylthiophthalazine
CID 600663
4-(Benzylthio)-6-fluorocinnoline
CID 248695
1-(Difluoromethylsulfanyl)-4-phenylphthalazine
CID 6401158
6-Fluorophthalazine
CID 119084530
Acetic acid, 2-(1-phthalazinylthio)-
CID 3776754
3,4,5-Tris((4-fluorobenzyl)thio)pyridazine
CID 248735
1-((3,4-Dichlorobenzyl)thio)phthalazine
CID 3680895
3,3-Dimethyl-1-phthalazin-1-ylsulfanylbutan-2-one
CID 6409028
1,4-Di(isopropyl-thio)phthalazine
CID 6412204

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfanyl]phthalazine?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfanyl]phthalazine (CID 51112625) is 1-[(4-fluorophenyl)methylsulfanyl]phthalazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfanyl]phthalazine?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfanyl]phthalazine is Fc1ccc(CSc2nncc3ccccc23)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfanyl]phthalazine?
The InChIKey is PLBGDPJHLAHKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S/c16-13-7-5-11(6-8-13)10-19-15-14-4-2-1-3-12(14)9-17-18-15/h1-9H,10H2.
What are the key properties of 1-[(4-fluorophenyl)methylsulfanyl]phthalazine?
1-[(4-fluorophenyl)methylsulfanyl]phthalazine has a molecular weight of 270.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfanyl]phthalazine is sourced from PubChem (CID 51112625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).