1-chloro-4-propan-2-ylsulfanylphthalazine

C11H11ClN2S — CID 62126861

IUPAC1-chloro-4-propan-2-ylsulfanylphthalazine
SMILESCC(C)Sc1nnc(Cl)c2ccccc12
InChIInChI=1S/C11H11ClN2S/c1-7(2)15-11-9-6-4-3-5-8(9)10(12)13-14-11/h3-7H,1-2H3
InChIKeyFPKBSBMYSFCRGK-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.78
Rot. Bonds2

About 1-chloro-4-propan-2-ylsulfanylphthalazine

1-chloro-4-propan-2-ylsulfanylphthalazine (PubChem CID 62126861) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 1-chloro-4-propan-2-ylsulfanylphthalazine.

Molecular Properties

Compound Name1-chloro-4-propan-2-ylsulfanylphthalazine
PubChem CID62126861
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name1-chloro-4-propan-2-ylsulfanylphthalazine
SMILESCC(C)Sc1nnc(Cl)c2ccccc12
InChIInChI=1S/C11H11ClN2S/c1-7(2)15-11-9-6-4-3-5-8(9)10(12)13-14-11/h3-7H,1-2H3
InChIKeyFPKBSBMYSFCRGK-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-4-propan-2-ylsulfanylphthalazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propan-2-ylsulfanylphthalazine?
The IUPAC name of 1-chloro-4-propan-2-ylsulfanylphthalazine (CID 62126861) is 1-chloro-4-propan-2-ylsulfanylphthalazine.
What is the SMILES notation for 1-chloro-4-propan-2-ylsulfanylphthalazine?
The canonical SMILES for 1-chloro-4-propan-2-ylsulfanylphthalazine is CC(C)Sc1nnc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-propan-2-ylsulfanylphthalazine?
The InChIKey is FPKBSBMYSFCRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7(2)15-11-9-6-4-3-5-8(9)10(12)13-14-11/h3-7H,1-2H3.
What are the key properties of 1-chloro-4-propan-2-ylsulfanylphthalazine?
1-chloro-4-propan-2-ylsulfanylphthalazine has a molecular weight of 238.74 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-chloro-4-propan-2-ylsulfanylphthalazine is sourced from PubChem (CID 62126861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).