5-bromo-3-(thiolan-3-yl)pyridazine

C8H9BrN2S — CID 117105034

IUPAC5-bromo-3-(thiolan-3-yl)pyridazine
SMILESBrc1cnnc(C2CCSC2)c1
InChIInChI=1S/C8H9BrN2S/c9-7-3-8(11-10-4-7)6-1-2-12-5-6/h3-4,6H,1-2,5H2
InChIKeyURXZHKKEFKLQCT-UHFFFAOYSA-N
MW245.14 g/mol
LogP2.46
Rot. Bonds1

About 5-bromo-3-(thiolan-3-yl)pyridazine

5-bromo-3-(thiolan-3-yl)pyridazine (PubChem CID 117105034) has the molecular formula C8H9BrN2S and a molecular weight of 245.14 g/mol. Its IUPAC name is 5-bromo-3-(thiolan-3-yl)pyridazine.

Molecular Properties

Compound Name5-bromo-3-(thiolan-3-yl)pyridazine
PubChem CID117105034
Molecular FormulaC8H9BrN2S
Molecular Weight245.14 g/mol
Exact Mass243.97
IUPAC Name5-bromo-3-(thiolan-3-yl)pyridazine
SMILESBrc1cnnc(C2CCSC2)c1
InChIInChI=1S/C8H9BrN2S/c9-7-3-8(11-10-4-7)6-1-2-12-5-6/h3-4,6H,1-2,5H2
InChIKeyURXZHKKEFKLQCT-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyridazin-3-yl)-tetrahydrothiophen
CID 13720667
5-Bromo-3-(2,2-dimethylpropyl)pyridazine
CID 117106905
5-Bromo-3-tert-butylpyridazine
CID 117106935
5-Bromo-3-(3-methylnonan-3-yl)pyridazine
CID 146377366
5-Bromo-3-(3,3-dimethylbutan-2-yl)pyridazine
CID 176739086
3-(3-Bromobutan-2-yl)pyridazine
CID 63203596
3-(2-Bromopentan-3-yl)pyridazine
CID 63204147
2-(4-Bromothiophen-2-yl)-2-pyridazin-3-ylacetonitrile
CID 116833185
2-(4-Bromothiophen-2-yl)-2-pyridazin-3-ylethanamine
CID 116833600
3-Pyridazin-3-ylthiolane 1,1-dioxide
CID 117105006
3-(5-Bromopyridazin-3-yl)thiolane 1,1-dioxide
CID 117105018
3-(Thiolan-3-yl)pyridazine
CID 117105022

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(thiolan-3-yl)pyridazine?
The IUPAC name of 5-bromo-3-(thiolan-3-yl)pyridazine (CID 117105034) is 5-bromo-3-(thiolan-3-yl)pyridazine.
What is the SMILES notation for 5-bromo-3-(thiolan-3-yl)pyridazine?
The canonical SMILES for 5-bromo-3-(thiolan-3-yl)pyridazine is Brc1cnnc(C2CCSC2)c1.
What is the InChIKey of 5-bromo-3-(thiolan-3-yl)pyridazine?
The InChIKey is URXZHKKEFKLQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2S/c9-7-3-8(11-10-4-7)6-1-2-12-5-6/h3-4,6H,1-2,5H2.
What are the key properties of 5-bromo-3-(thiolan-3-yl)pyridazine?
5-bromo-3-(thiolan-3-yl)pyridazine has a molecular weight of 245.14 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(thiolan-3-yl)pyridazine is sourced from PubChem (CID 117105034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).