4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol

C11H9ClN2OS — CID 104514355

IUPAC4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol
SMILESOc1ccc(SCc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H9ClN2OS/c12-11-6-1-8(13-14-11)7-16-10-4-2-9(15)3-5-10/h1-6,15H,7H2
InChIKeyUBGOXEBTGXNZJH-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.13
Rot. Bonds3

About 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol

4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol (PubChem CID 104514355) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol
PubChem CID104514355
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol
SMILESOc1ccc(SCc2ccc(Cl)nn2)cc1
InChIInChI=1S/C11H9ClN2OS/c12-11-6-1-8(13-14-11)7-16-10-4-2-9(15)3-5-10/h1-6,15H,7H2
InChIKeyUBGOXEBTGXNZJH-UHFFFAOYSA-N
XLogP3.13
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol 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 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol (CID 104514355) is 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol is Oc1ccc(SCc2ccc(Cl)nn2)cc1.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol?
The InChIKey is UBGOXEBTGXNZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-11-6-1-8(13-14-11)7-16-10-4-2-9(15)3-5-10/h1-6,15H,7H2.
What are the key properties of 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol?
4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol has a molecular weight of 252.73 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol is sourced from PubChem (CID 104514355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).