3-(trifluoromethylsulfanyl)pyridazine

C5H3F3N2S — CID 172697228

IUPAC3-(trifluoromethylsulfanyl)pyridazine
SMILESFC(F)(F)Sc1cccnn1
InChIInChI=1S/C5H3F3N2S/c6-5(7,8)11-4-2-1-3-9-10-4/h1-3H
InChIKeyCMDVITHNTDGPNL-UHFFFAOYSA-N
MW180.15 g/mol
LogP2.09
Rot. Bonds1

About 3-(trifluoromethylsulfanyl)pyridazine

3-(trifluoromethylsulfanyl)pyridazine (PubChem CID 172697228) has the molecular formula C5H3F3N2S and a molecular weight of 180.15 g/mol. Its IUPAC name is 3-(trifluoromethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(trifluoromethylsulfanyl)pyridazine
PubChem CID172697228
Molecular FormulaC5H3F3N2S
Molecular Weight180.15 g/mol
Exact Mass180.00
IUPAC Name3-(trifluoromethylsulfanyl)pyridazine
SMILESFC(F)(F)Sc1cccnn1
InChIInChI=1S/C5H3F3N2S/c6-5(7,8)11-4-2-1-3-9-10-4/h1-3H
InChIKeyCMDVITHNTDGPNL-UHFFFAOYSA-N
XLogP2.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfanyl)pyridazine?
The IUPAC name of 3-(trifluoromethylsulfanyl)pyridazine (CID 172697228) is 3-(trifluoromethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(trifluoromethylsulfanyl)pyridazine?
The canonical SMILES for 3-(trifluoromethylsulfanyl)pyridazine is FC(F)(F)Sc1cccnn1.
What is the InChIKey of 3-(trifluoromethylsulfanyl)pyridazine?
The InChIKey is CMDVITHNTDGPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2S/c6-5(7,8)11-4-2-1-3-9-10-4/h1-3H.
What are the key properties of 3-(trifluoromethylsulfanyl)pyridazine?
3-(trifluoromethylsulfanyl)pyridazine has a molecular weight of 180.15 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfanyl)pyridazine is sourced from PubChem (CID 172697228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).