3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

C18H14Cl2N2OS — CID 43936923

IUPAC3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C18H14Cl2N2OS/c1-23-17-5-3-2-4-13(17)16-8-9-18(22-21-16)24-11-12-6-7-14(19)15(20)10-12/h2-10H,11H2,1H3
InChIKeyACJVPKWFCJQIPG-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.75
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (PubChem CID 43936923) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
PubChem CID43936923
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC Name3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C18H14Cl2N2OS/c1-23-17-5-3-2-4-13(17)16-8-9-18(22-21-16)24-11-12-6-7-14(19)15(20)10-12/h2-10H,11H2,1H3
InChIKeyACJVPKWFCJQIPG-UHFFFAOYSA-N
XLogP5.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 7206088
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(3,4-dimethoxyphenyl)pyridazine
CID 43936895
3-(2-methoxyphenyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 43936926
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937004
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine
CID 41084936
N-(3-chloro-2-methylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542753
1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7206085
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
CID 121031313
3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 40532045
3-benzylsulfanyl-6-methoxypyridazine
CID 86259421
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-[1-(2-methoxyphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazole
CID 43869201
N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206083

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (CID 43936923) is 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is COc1ccccc1-c1ccc(SCc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The InChIKey is ACJVPKWFCJQIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-23-17-5-3-2-4-13(17)16-8-9-18(22-21-16)24-11-12-6-7-14(19)15(20)10-12/h2-10H,11H2,1H3.
What are the key properties of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine has a molecular weight of 377.30 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is sourced from PubChem (CID 43936923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).