3-pyridazin-3-ylthiolane 1,1-dioxide

C8H10N2O2S — CID 117105006

IUPAC3-pyridazin-3-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cccnn2)C1
InChIInChI=1S/C8H10N2O2S/c11-13(12)5-3-7(6-13)8-2-1-4-9-10-8/h1-2,4,7H,3,5-6H2
InChIKeyLZRHUNBLZLJIGA-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.38
Rot. Bonds1

About 3-pyridazin-3-ylthiolane 1,1-dioxide

3-pyridazin-3-ylthiolane 1,1-dioxide (PubChem CID 117105006) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 3-pyridazin-3-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name3-pyridazin-3-ylthiolane 1,1-dioxide
PubChem CID117105006
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name3-pyridazin-3-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cccnn2)C1
InChIInChI=1S/C8H10N2O2S/c11-13(12)5-3-7(6-13)8-2-1-4-9-10-8/h1-2,4,7H,3,5-6H2
InChIKeyLZRHUNBLZLJIGA-UHFFFAOYSA-N
XLogP0.38
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-ylthiolane 1,1-dioxide?
The IUPAC name of 3-pyridazin-3-ylthiolane 1,1-dioxide (CID 117105006) is 3-pyridazin-3-ylthiolane 1,1-dioxide.
What is the SMILES notation for 3-pyridazin-3-ylthiolane 1,1-dioxide?
The canonical SMILES for 3-pyridazin-3-ylthiolane 1,1-dioxide is O=S1(=O)CCC(c2cccnn2)C1.
What is the InChIKey of 3-pyridazin-3-ylthiolane 1,1-dioxide?
The InChIKey is LZRHUNBLZLJIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-13(12)5-3-7(6-13)8-2-1-4-9-10-8/h1-2,4,7H,3,5-6H2.
What are the key properties of 3-pyridazin-3-ylthiolane 1,1-dioxide?
3-pyridazin-3-ylthiolane 1,1-dioxide has a molecular weight of 198.25 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-ylthiolane 1,1-dioxide is sourced from PubChem (CID 117105006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).