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

C12H10Cl2N2S — CID 6409742

IUPAC3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine
SMILESCSc1ccc(Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H10Cl2N2S/c1-17-12-5-4-10(15-16-12)6-8-2-3-9(13)7-11(8)14/h2-5,7H,6H2,1H3
InChIKeyWUMFDUGXIUPYNO-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.10
Rot. Bonds3

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

3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine (PubChem CID 6409742) has the molecular formula C12H10Cl2N2S and a molecular weight of 285.20 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine
PubChem CID6409742
Molecular FormulaC12H10Cl2N2S
Molecular Weight285.20 g/mol
Exact Mass283.99
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine
SMILESCSc1ccc(Cc2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C12H10Cl2N2S/c1-17-12-5-4-10(15-16-12)6-8-2-3-9(13)7-11(8)14/h2-5,7H,6H2,1H3
InChIKeyWUMFDUGXIUPYNO-UHFFFAOYSA-N
XLogP4.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine (CID 6409742) is 3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine is CSc1ccc(Cc2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine?
The InChIKey is WUMFDUGXIUPYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S/c1-17-12-5-4-10(15-16-12)6-8-2-3-9(13)7-11(8)14/h2-5,7H,6H2,1H3.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine?
3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine has a molecular weight of 285.20 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-6-methylsulfanylpyridazine is sourced from PubChem (CID 6409742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).