3-(thiolan-3-yl)pyridazine

C8H10N2S — CID 117105022

IUPAC3-(thiolan-3-yl)pyridazine
SMILESc1cnnc(C2CCSC2)c1
InChIInChI=1S/C8H10N2S/c1-2-8(10-9-4-1)7-3-5-11-6-7/h1-2,4,7H,3,5-6H2
InChIKeySSFMUXSMQHZYMB-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.70
Rot. Bonds1

About 3-(thiolan-3-yl)pyridazine

3-(thiolan-3-yl)pyridazine (PubChem CID 117105022) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 3-(thiolan-3-yl)pyridazine.

Molecular Properties

Compound Name3-(thiolan-3-yl)pyridazine
PubChem CID117105022
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name3-(thiolan-3-yl)pyridazine
SMILESc1cnnc(C2CCSC2)c1
InChIInChI=1S/C8H10N2S/c1-2-8(10-9-4-1)7-3-5-11-6-7/h1-2,4,7H,3,5-6H2
InChIKeySSFMUXSMQHZYMB-UHFFFAOYSA-N
XLogP1.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-3-yl)pyridazine?
The IUPAC name of 3-(thiolan-3-yl)pyridazine (CID 117105022) is 3-(thiolan-3-yl)pyridazine.
What is the SMILES notation for 3-(thiolan-3-yl)pyridazine?
The canonical SMILES for 3-(thiolan-3-yl)pyridazine is c1cnnc(C2CCSC2)c1.
What is the InChIKey of 3-(thiolan-3-yl)pyridazine?
The InChIKey is SSFMUXSMQHZYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-2-8(10-9-4-1)7-3-5-11-6-7/h1-2,4,7H,3,5-6H2.
What are the key properties of 3-(thiolan-3-yl)pyridazine?
3-(thiolan-3-yl)pyridazine has a molecular weight of 166.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-3-yl)pyridazine is sourced from PubChem (CID 117105022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).