4-methylsulfanyl-3,6-diphenylpyridazine

C17H14N2S — CID 135021385

IUPAC4-methylsulfanyl-3,6-diphenylpyridazine
SMILESCSc1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C17H14N2S/c1-20-16-12-15(13-8-4-2-5-9-13)18-19-17(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyBNPICOVEIKUUJW-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.53
Rot. Bonds3

About 4-methylsulfanyl-3,6-diphenylpyridazine

4-methylsulfanyl-3,6-diphenylpyridazine (PubChem CID 135021385) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methylsulfanyl-3,6-diphenylpyridazine.

Molecular Properties

Compound Name4-methylsulfanyl-3,6-diphenylpyridazine
PubChem CID135021385
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name4-methylsulfanyl-3,6-diphenylpyridazine
SMILESCSc1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C17H14N2S/c1-20-16-12-15(13-8-4-2-5-9-13)18-19-17(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyBNPICOVEIKUUJW-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine
CID 86079542
3,4-dimethyl-6-phenylpyridazine
CID 14040320
3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine
CID 15564624
7-methyl-4-methylsulfanyl-2-phenyl-1,8-naphthyridine
CID 11437060
3-methyl-4-methylsulfanyl-2-phenyl-6-thiophen-3-ylpyridine
CID 15754385
3-fluoro-6-phenylpyridazine
CID 10921001
5-methylsulfanyl-4-phenylthiadiazole
CID 1473996
3-(4-methylphenyl)indeno[1,2-c]pyridazin-5-one
CID 2767330
methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate
CID 134858703
4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
CID 11078715
6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine
CID 14740710
5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole
CID 21435653

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-3,6-diphenylpyridazine?
The IUPAC name of 4-methylsulfanyl-3,6-diphenylpyridazine (CID 135021385) is 4-methylsulfanyl-3,6-diphenylpyridazine.
What is the SMILES notation for 4-methylsulfanyl-3,6-diphenylpyridazine?
The canonical SMILES for 4-methylsulfanyl-3,6-diphenylpyridazine is CSc1cc(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 4-methylsulfanyl-3,6-diphenylpyridazine?
The InChIKey is BNPICOVEIKUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-20-16-12-15(13-8-4-2-5-9-13)18-19-17(16)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 4-methylsulfanyl-3,6-diphenylpyridazine?
4-methylsulfanyl-3,6-diphenylpyridazine has a molecular weight of 278.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-3,6-diphenylpyridazine is sourced from PubChem (CID 135021385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).