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

C14H16N2O3S — CID 168898782

IUPAC3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
SMILESCOc1ccc(CSc2cc(OC)nnc2OC)cc1
InChIInChI=1S/C14H16N2O3S/c1-17-11-6-4-10(5-7-11)9-20-12-8-13(18-2)15-16-14(12)19-3/h4-8H,9H2,1-3H3
InChIKeyQSMNPLLXTOXHAZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.79
Rot. Bonds6

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

3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine (PubChem CID 168898782) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
PubChem CID168898782
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
SMILESCOc1ccc(CSc2cc(OC)nnc2OC)cc1
InChIInChI=1S/C14H16N2O3S/c1-17-11-6-4-10(5-7-11)9-20-12-8-13(18-2)15-16-14(12)19-3/h4-8H,9H2,1-3H3
InChIKeyQSMNPLLXTOXHAZ-UHFFFAOYSA-N
XLogP2.79
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzylsulfanyl-3,6-dimethoxypyridazine;4-iodo-3,6-dimethoxypyridazine
CID 157050390
1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 130378500
2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine
CID 10038347
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
CID 91259984
1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 144942849
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
4-chloro-N-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 154989588
6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7301710
2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine
CID 164876763
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine (CID 168898782) is 3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine is COc1ccc(CSc2cc(OC)nnc2OC)cc1.
What is the InChIKey of 3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine?
The InChIKey is QSMNPLLXTOXHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-17-11-6-4-10(5-7-11)9-20-12-8-13(18-2)15-16-14(12)19-3/h4-8H,9H2,1-3H3.
What are the key properties of 3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine?
3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine has a molecular weight of 292.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 168898782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).