3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine

C18H14Cl2N2S — CID 2764752

IUPAC3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine
SMILESClc1ccc(Cc2ccc(SCc3ccccc3)nn2)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2S/c19-15-7-6-14(17(20)11-15)10-16-8-9-18(22-21-16)23-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKeyQZHKYIPHKSWBHH-UHFFFAOYSA-N
MW361.30 g/mol
LogP5.67
Rot. Bonds5

About 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine

3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine (PubChem CID 2764752) has the molecular formula C18H14Cl2N2S and a molecular weight of 361.30 g/mol. Its IUPAC name is 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine
PubChem CID2764752
Molecular FormulaC18H14Cl2N2S
Molecular Weight361.30 g/mol
Exact Mass360.03
IUPAC Name3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine
SMILESClc1ccc(Cc2ccc(SCc3ccccc3)nn2)c(Cl)c1
InChIInChI=1S/C18H14Cl2N2S/c19-15-7-6-14(17(20)11-15)10-16-8-9-18(22-21-16)23-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKeyQZHKYIPHKSWBHH-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.30
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine?
The IUPAC name of 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine (CID 2764752) is 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine.
What is the SMILES notation for 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine?
The canonical SMILES for 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine is Clc1ccc(Cc2ccc(SCc3ccccc3)nn2)c(Cl)c1.
What is the InChIKey of 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine?
The InChIKey is QZHKYIPHKSWBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2S/c19-15-7-6-14(17(20)11-15)10-16-8-9-18(22-21-16)23-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2.
What are the key properties of 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine?
3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine has a molecular weight of 361.30 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-6-[(2,4-dichlorophenyl)methyl]pyridazine is sourced from PubChem (CID 2764752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).