3-chloro-6-(thiolan-3-yl)pyridazine

C8H9ClN2S — CID 117105025

IUPAC3-chloro-6-(thiolan-3-yl)pyridazine
SMILESClc1ccc(C2CCSC2)nn1
InChIInChI=1S/C8H9ClN2S/c9-8-2-1-7(10-11-8)6-3-4-12-5-6/h1-2,6H,3-5H2
InChIKeyDCACTJGLRLMKCX-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.35
Rot. Bonds1

About 3-chloro-6-(thiolan-3-yl)pyridazine

3-chloro-6-(thiolan-3-yl)pyridazine (PubChem CID 117105025) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 3-chloro-6-(thiolan-3-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(thiolan-3-yl)pyridazine
PubChem CID117105025
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name3-chloro-6-(thiolan-3-yl)pyridazine
SMILESClc1ccc(C2CCSC2)nn1
InChIInChI=1S/C8H9ClN2S/c9-8-2-1-7(10-11-8)6-3-4-12-5-6/h1-2,6H,3-5H2
InChIKeyDCACTJGLRLMKCX-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(thiolan-3-yl)pyridazine?
The IUPAC name of 3-chloro-6-(thiolan-3-yl)pyridazine (CID 117105025) is 3-chloro-6-(thiolan-3-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(thiolan-3-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(thiolan-3-yl)pyridazine is Clc1ccc(C2CCSC2)nn1.
What is the InChIKey of 3-chloro-6-(thiolan-3-yl)pyridazine?
The InChIKey is DCACTJGLRLMKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S/c9-8-2-1-7(10-11-8)6-3-4-12-5-6/h1-2,6H,3-5H2.
What are the key properties of 3-chloro-6-(thiolan-3-yl)pyridazine?
3-chloro-6-(thiolan-3-yl)pyridazine has a molecular weight of 200.69 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(thiolan-3-yl)pyridazine is sourced from PubChem (CID 117105025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).