3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine

C19H18N2O2S — CID 18760018

IUPAC3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine
SMILESCOc1ccc(-c2cc(SC)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-22-15-8-4-13(5-9-15)17-12-18(24-3)20-21-19(17)14-6-10-16(23-2)11-7-14/h4-12H,1-3H3
InChIKeyNQPIWZZILDAORV-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.55
Rot. Bonds5

About 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine

3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine (PubChem CID 18760018) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine
PubChem CID18760018
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine
SMILESCOc1ccc(-c2cc(SC)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-22-15-8-4-13(5-9-15)17-12-18(24-3)20-21-19(17)14-6-10-16(23-2)11-7-14/h4-12H,1-3H3
InChIKeyNQPIWZZILDAORV-UHFFFAOYSA-N
XLogP4.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine (CID 18760018) is 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine is COc1ccc(-c2cc(SC)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine?
The InChIKey is NQPIWZZILDAORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-22-15-8-4-13(5-9-15)17-12-18(24-3)20-21-19(17)14-6-10-16(23-2)11-7-14/h4-12H,1-3H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine?
3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine has a molecular weight of 338.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-6-methylsulfanylpyridazine is sourced from PubChem (CID 18760018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).