3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide

C8H8BrClN2O2S — CID 117105021

IUPAC3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Br)c(Cl)nn2)C1
InChIInChI=1S/C8H8BrClN2O2S/c9-6-3-7(11-12-8(6)10)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2
InChIKeyXMIGHAWNLKSQFO-UHFFFAOYSA-N
MW311.59 g/mol
LogP1.79
Rot. Bonds1

About 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide

3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide (PubChem CID 117105021) has the molecular formula C8H8BrClN2O2S and a molecular weight of 311.59 g/mol. Its IUPAC name is 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide
PubChem CID117105021
Molecular FormulaC8H8BrClN2O2S
Molecular Weight311.59 g/mol
Exact Mass309.92
IUPAC Name3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Br)c(Cl)nn2)C1
InChIInChI=1S/C8H8BrClN2O2S/c9-6-3-7(11-12-8(6)10)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2
InChIKeyXMIGHAWNLKSQFO-UHFFFAOYSA-N
XLogP1.79
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.59
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-Chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105009
3-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-4-amine
CID 117105013
3-(5-Chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
4-Chloro-6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
CID 117105015
3-(5,6-Dichloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105017
3-(5-Bromopyridazin-3-yl)thiolane 1,1-dioxide
CID 117105018
4-Bromo-6-(1,1-dioxothiolan-3-yl)pyridazin-3-amine
CID 117105019
3-Chloro-6-(thiolan-3-yl)pyridazine
CID 117105025
3,4-Dichloro-6-(thiolan-3-yl)pyridazine
CID 117105033
4-Bromo-3-chloro-6-(thiolan-3-yl)pyridazine
CID 117105037
4-(6-Chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105146
4-(5,6-Dichloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105154

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide (CID 117105021) is 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2cc(Br)c(Cl)nn2)C1.
What is the InChIKey of 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide?
The InChIKey is XMIGHAWNLKSQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O2S/c9-6-3-7(11-12-8(6)10)5-1-2-15(13,14)4-5/h3,5H,1-2,4H2.
What are the key properties of 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide?
3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide has a molecular weight of 311.59 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117105021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).