1-phenylsulfanylphthalazine

C14H10N2S — CID 6410698

IUPAC1-phenylsulfanylphthalazine
SMILESc1ccc(Sc2nncc3ccccc23)cc1
InChIInChI=1S/C14H10N2S/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H
InChIKeyZFYCMRGBNKNQOG-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.78
Rot. Bonds2

About 1-phenylsulfanylphthalazine

1-phenylsulfanylphthalazine (PubChem CID 6410698) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-phenylsulfanylphthalazine.

Molecular Properties

Compound Name1-phenylsulfanylphthalazine
PubChem CID6410698
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name1-phenylsulfanylphthalazine
SMILESc1ccc(Sc2nncc3ccccc23)cc1
InChIInChI=1S/C14H10N2S/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H
InChIKeyZFYCMRGBNKNQOG-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenylsulfanylphthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phthalazine
CID 9207
2-(4-Phenylphthalazinylthio)ethanenitrile
CID 6405335
1-Butylsulfanyl-4-phenylphthalazine
CID 2945119
1-Benzyl-4-(phenylsulfanyl)phthalazine
CID 6404569
1-Methylthiophthalazine
CID 600663
1-Phenylphthalazine
CID 609624
1,4-Di(isopropyl-thio)phthalazine
CID 6412204
Acetic acid, 2-(1-phthalazinylthio)-
CID 3776754
Benzo[f]phthalazine
CID 601985
1-Benzylphthalazine
CID 613038
4-Benzylsulfanylcinnoline
CID 349846
1-((3,4-Dichlorobenzyl)thio)phthalazine
CID 3680895

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylphthalazine?
The IUPAC name of 1-phenylsulfanylphthalazine (CID 6410698) is 1-phenylsulfanylphthalazine.
What is the SMILES notation for 1-phenylsulfanylphthalazine?
The canonical SMILES for 1-phenylsulfanylphthalazine is c1ccc(Sc2nncc3ccccc23)cc1.
What is the InChIKey of 1-phenylsulfanylphthalazine?
The InChIKey is ZFYCMRGBNKNQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H.
What are the key properties of 1-phenylsulfanylphthalazine?
1-phenylsulfanylphthalazine has a molecular weight of 238.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylphthalazine is sourced from PubChem (CID 6410698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).