3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine

C15H11ClN2OS — CID 7207290

IUPAC3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
SMILESClc1ccc(CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-5-3-11(4-6-12)10-20-15-8-7-13(17-18-15)14-2-1-9-19-14/h1-9H,10H2
InChIKeyLPPBUZPLSGDYOL-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.68
Rot. Bonds4

About 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine

3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine (PubChem CID 7207290) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
PubChem CID7207290
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
SMILESClc1ccc(CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-5-3-11(4-6-12)10-20-15-8-7-13(17-18-15)14-2-1-9-19-14/h1-9H,10H2
InChIKeyLPPBUZPLSGDYOL-UHFFFAOYSA-N
XLogP4.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine (CID 7207290) is 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine is Clc1ccc(CSc2ccc(-c3ccco3)nn2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine?
The InChIKey is LPPBUZPLSGDYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-5-3-11(4-6-12)10-20-15-8-7-13(17-18-15)14-2-1-9-19-14/h1-9H,10H2.
What are the key properties of 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine?
3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine has a molecular weight of 302.79 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine is sourced from PubChem (CID 7207290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).