1,4-bis(propan-2-ylsulfanyl)phthalazine

C14H18N2S2 — CID 6412204

IUPAC1,4-bis(propan-2-ylsulfanyl)phthalazine
SMILESCC(C)Sc1nnc(SC(C)C)c2ccccc12
InChIInChI=1S/C14H18N2S2/c1-9(2)17-13-11-7-5-6-8-12(11)14(16-15-13)18-10(3)4/h5-10H,1-4H3
InChIKeyGJDNMMMMRYGUHL-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.63
Rot. Bonds4

About 1,4-bis(propan-2-ylsulfanyl)phthalazine

1,4-bis(propan-2-ylsulfanyl)phthalazine (PubChem CID 6412204) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 1,4-bis(propan-2-ylsulfanyl)phthalazine.

Molecular Properties

Compound Name1,4-bis(propan-2-ylsulfanyl)phthalazine
PubChem CID6412204
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name1,4-bis(propan-2-ylsulfanyl)phthalazine
SMILESCC(C)Sc1nnc(SC(C)C)c2ccccc12
InChIInChI=1S/C14H18N2S2/c1-9(2)17-13-11-7-5-6-8-12(11)14(16-15-13)18-10(3)4/h5-10H,1-4H3
InChIKeyGJDNMMMMRYGUHL-UHFFFAOYSA-N
XLogP4.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-bis(propan-2-ylsulfanyl)phthalazine 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

1-Butylsulfanyl-4-p-tolyl-phthalazine
CID 6407380
1-Ethylsulfanyl-4-(4-methylphenyl)phthalazine
CID 2881093
2-(4-Phenylphthalazinylthio)ethanenitrile
CID 6405335
1-Benzyl-4-[(4-methylphenyl)sulfanyl]phthalazine
CID 6413011
1-(Ethylsulfanyl)-4-methylphthalazine
CID 5310658
Phthalazine, 1-(phenylthio)-
CID 6410698
1-Butylsulfanyl-4-phenylphthalazine
CID 2945119
1-Benzyl-4-(phenylsulfanyl)phthalazine
CID 6404569
3-((2-Methylbenzyl)thio)-6-phenylpyridazine
CID 41502794
1-Methylthiophthalazine
CID 600663
1-(Difluoromethylsulfanyl)-4-phenylphthalazine
CID 6401158
1-Cyclohexylsulfanyl-4-(4-methylphenyl)phthalazine
CID 2946458

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(propan-2-ylsulfanyl)phthalazine?
The IUPAC name of 1,4-bis(propan-2-ylsulfanyl)phthalazine (CID 6412204) is 1,4-bis(propan-2-ylsulfanyl)phthalazine.
What is the SMILES notation for 1,4-bis(propan-2-ylsulfanyl)phthalazine?
The canonical SMILES for 1,4-bis(propan-2-ylsulfanyl)phthalazine is CC(C)Sc1nnc(SC(C)C)c2ccccc12.
What is the InChIKey of 1,4-bis(propan-2-ylsulfanyl)phthalazine?
The InChIKey is GJDNMMMMRYGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-9(2)17-13-11-7-5-6-8-12(11)14(16-15-13)18-10(3)4/h5-10H,1-4H3.
What are the key properties of 1,4-bis(propan-2-ylsulfanyl)phthalazine?
1,4-bis(propan-2-ylsulfanyl)phthalazine has a molecular weight of 278.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(propan-2-ylsulfanyl)phthalazine is sourced from PubChem (CID 6412204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).