3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide

C8H9ClN2O2S — CID 117105009

IUPAC3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2ccc(Cl)nn2)C1
InChIInChI=1S/C8H9ClN2O2S/c9-8-2-1-7(10-11-8)6-3-4-14(12,13)5-6/h1-2,6H,3-5H2
InChIKeyWYQJJLDHSVCGMF-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.03
Rot. Bonds1

About 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide

3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide (PubChem CID 117105009) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide
PubChem CID117105009
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2ccc(Cl)nn2)C1
InChIInChI=1S/C8H9ClN2O2S/c9-8-2-1-7(10-11-8)6-3-4-14(12,13)5-6/h1-2,6H,3-5H2
InChIKeyWYQJJLDHSVCGMF-UHFFFAOYSA-N
XLogP1.03
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide (CID 117105009) is 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2ccc(Cl)nn2)C1.
What is the InChIKey of 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide?
The InChIKey is WYQJJLDHSVCGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c9-8-2-1-7(10-11-8)6-3-4-14(12,13)5-6/h1-2,6H,3-5H2.
What are the key properties of 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide?
3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide has a molecular weight of 232.69 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridazin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117105009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).