3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine

C17H13FN2S — CID 7205692

IUPAC3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
SMILESFc1ccc(CSc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C17H13FN2S/c18-15-8-6-13(7-9-15)12-21-17-11-10-16(19-20-17)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyYQEOTXZRLRAQBB-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.57
Rot. Bonds4

About 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine

3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine (PubChem CID 7205692) has the molecular formula C17H13FN2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
PubChem CID7205692
Molecular FormulaC17H13FN2S
Molecular Weight296.37 g/mol
Exact Mass296.08
IUPAC Name3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine
SMILESFc1ccc(CSc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C17H13FN2S/c18-15-8-6-13(7-9-15)12-21-17-11-10-16(19-20-17)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyYQEOTXZRLRAQBB-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine
CID 43936944
3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine
CID 7502818
3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoic acid
CID 42763696
3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
CID 43936867
3-(4-ethylphenyl)-6-[(2-methylphenyl)methylsulfanyl]pyridazine
CID 7206130
4-benzylsulfanyl-2-chloro-6-(4-fluorophenyl)pyrimidine
CID 146491031
5-[6-[(4-chlorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 18562794
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
CID 162640165
3-[(4-fluorophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 6406872
(4-methylpiperidin-1-yl)-[4-[[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylmethyl]phenyl]methanone
CID 6414107
3-(2-chlorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 50786090
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine (CID 7205692) is 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine is Fc1ccc(CSc2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine?
The InChIKey is YQEOTXZRLRAQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2S/c18-15-8-6-13(7-9-15)12-21-17-11-10-16(19-20-17)14-4-2-1-3-5-14/h1-11H,12H2.
What are the key properties of 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine?
3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine has a molecular weight of 296.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyridazine is sourced from PubChem (CID 7205692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).