3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

C18H15ClN2OS — CID 7206088

IUPAC3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2cccc(Cl)c2)nn1
InChIInChI=1S/C18H15ClN2OS/c1-22-17-8-3-2-7-15(17)16-9-10-18(21-20-16)23-12-13-5-4-6-14(19)11-13/h2-11H,12H2,1H3
InChIKeyNZXRBTNXIHODOX-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.10
Rot. Bonds5

About 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (PubChem CID 7206088) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
PubChem CID7206088
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2cccc(Cl)c2)nn1
InChIInChI=1S/C18H15ClN2OS/c1-22-17-8-3-2-7-15(17)16-9-10-18(21-20-16)23-12-13-5-4-6-14(19)11-13/h2-11H,12H2,1H3
InChIKeyNZXRBTNXIHODOX-UHFFFAOYSA-N
XLogP5.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 43936923
3-(2-methoxyphenyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 43936926
3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
CID 43936866
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(3,4-dimethoxyphenyl)pyridazine
CID 43936895
5-(5-chloro-2-methoxyphenyl)-3-[(3-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
CID 7982417
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937004
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
N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206083
3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 40532045
3-benzylsulfanyl-6-methoxypyridazine
CID 86259421
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (CID 7206088) is 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is COc1ccccc1-c1ccc(SCc2cccc(Cl)c2)nn1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The InChIKey is NZXRBTNXIHODOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-22-17-8-3-2-7-15(17)16-9-10-18(21-20-16)23-12-13-5-4-6-14(19)11-13/h2-11H,12H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine has a molecular weight of 342.85 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is sourced from PubChem (CID 7206088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).