3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine

C12H11FN2S — CID 7502818

IUPAC3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine
SMILESCCSc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C12H11FN2S/c1-2-16-12-8-7-11(14-15-12)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3
InChIKeyUMOLFGWMQUPNJN-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.39
Rot. Bonds3

About 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine

3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine (PubChem CID 7502818) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine
PubChem CID7502818
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine
SMILESCCSc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C12H11FN2S/c1-2-16-12-8-7-11(14-15-12)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3
InChIKeyUMOLFGWMQUPNJN-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine?
The IUPAC name of 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine (CID 7502818) is 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine.
What is the SMILES notation for 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine?
The canonical SMILES for 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine is CCSc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine?
The InChIKey is UMOLFGWMQUPNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-2-16-12-8-7-11(14-15-12)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine?
3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine has a molecular weight of 234.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine is sourced from PubChem (CID 7502818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).