4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide

C9H11ClN2O2S — CID 117105146

IUPAC4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C9H11ClN2O2S/c10-9-2-1-8(11-12-9)7-3-5-15(13,14)6-4-7/h1-2,7H,3-6H2
InChIKeyCPNLIGISFZDPET-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.42
Rot. Bonds1

About 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide

4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide (PubChem CID 117105146) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide
PubChem CID117105146
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C9H11ClN2O2S/c10-9-2-1-8(11-12-9)7-3-5-15(13,14)6-4-7/h1-2,7H,3-6H2
InChIKeyCPNLIGISFZDPET-UHFFFAOYSA-N
XLogP1.42
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide (CID 117105146) is 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide is O=S1(=O)CCC(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide?
The InChIKey is CPNLIGISFZDPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-9-2-1-8(11-12-9)7-3-5-15(13,14)6-4-7/h1-2,7H,3-6H2.
What are the key properties of 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide?
4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide has a molecular weight of 246.72 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117105146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).