4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide

C9H10Cl2N2O2S — CID 117105154

IUPAC4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Cl)c(Cl)nn2)CC1
InChIInChI=1S/C9H10Cl2N2O2S/c10-7-5-8(12-13-9(7)11)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2
InChIKeyCRCXQJJIIARVCG-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.08
Rot. Bonds1

About 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide

4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide (PubChem CID 117105154) has the molecular formula C9H10Cl2N2O2S and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide
PubChem CID117105154
Molecular FormulaC9H10Cl2N2O2S
Molecular Weight281.16 g/mol
Exact Mass279.98
IUPAC Name4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Cl)c(Cl)nn2)CC1
InChIInChI=1S/C9H10Cl2N2O2S/c10-7-5-8(12-13-9(7)11)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2
InChIKeyCRCXQJJIIARVCG-UHFFFAOYSA-N
XLogP2.08
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide (CID 117105154) is 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide is O=S1(=O)CCC(c2cc(Cl)c(Cl)nn2)CC1.
What is the InChIKey of 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide?
The InChIKey is CRCXQJJIIARVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2S/c10-7-5-8(12-13-9(7)11)6-1-3-16(14,15)4-2-6/h5-6H,1-4H2.
What are the key properties of 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide?
4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide has a molecular weight of 281.16 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloropyridazin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117105154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).