2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride

C36H37BrCl5N15O6S — CID 158285755

About 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride

2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride (PubChem CID 158285755) has the molecular formula C36H37BrCl5N15O6S and a molecular weight of 1065.03 g/mol. Its IUPAC name is 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride.

Molecular Properties

• Compound Name: 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride
• PubChem CID: 158285755
• Molecular Formula: C36H37BrCl5N15O6S
• Molecular Weight: 1065.03 g/mol
• Exact Mass: 1061.04
• IUPAC Name: 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride
• SMILES: COC(=O)c1ccc2nccn2n1.COC(CBr)OC.ClCc1ccc2nccn2n1.Clc1ccc2nccn2n1.Nc1ccc(Cl)nn1.O=S(Cl)Cl.OCc1ccc2nccn2n1
• InChI: InChI=1S/C8H7N3O2.C7H6ClN3.C7H7N3O.C6H4ClN3.C4H9BrO2.C4H4ClN3.Cl2OS/c1-13-8(12)6-2-3-7-9-4-5-11(7)10-6;8-5-6-1-2-7-9-3-4-11(7)10-6;11-5-6-1-2-7-8-3-4-10(7)9-6;7-5-1-2-6-8-3-4-10(6)9-5;1-6-4(3-5)7-2;5-3-1-2-4(6)8-7-3;1-4(2)3/h2-5H,1H3;1-4H,5H2;1-4,11H,5H2;1-4H;4H,3H2,1-2H3;1-2H,(H2,6,8)
• InChIKey: GKTKXXQTAFXSHJ-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 254.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.03
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride?

The IUPAC name of 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride (CID 158285755) is 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride.

What is the SMILES notation for 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride?

The canonical SMILES for 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride is COC(=O)c1ccc2nccn2n1.COC(CBr)OC.ClCc1ccc2nccn2n1.Clc1ccc2nccn2n1.Nc1ccc(Cl)nn1.O=S(Cl)Cl.OCc1ccc2nccn2n1.

What is the InChIKey of 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride?

The InChIKey is GKTKXXQTAFXSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.C7H6ClN3.C7H7N3O.C6H4ClN3.C4H9BrO2.C4H4ClN3.Cl2OS/c1-13-8(12)6-2-3-7-9-4-5-11(7)10-6;8-5-6-1-2-7-9-3-4-11(7)10-6;11-5-6-1-2-7-8-3-4-10(7)9-6;7-5-1-2-6-8-3-4-10(6)9-5;1-6-4(3-5)7-2;5-3-1-2-4(6)8-7-3;1-4(2)3/h2-5H,1H3;1-4H,5H2;1-4,11H,5H2;1-4H;4H,3H2,1-2H3;1-2H,(H2,6,8);.

What are the key properties of 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride?

2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride has a molecular weight of 1065.03 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1,1-dimethoxyethane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride is sourced from PubChem (CID 158285755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).