potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate

C108H109BrClF12KN27O7S9- — CID 158649684

About potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate

potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate (PubChem CID 158649684) has the molecular formula C108H109BrClF12KN27O7S9- and a molecular weight of 2570.29 g/mol. Its IUPAC name is potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate.

Molecular Properties

• Compound Name: potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate
• PubChem CID: 158649684
• Molecular Formula: C108H109BrClF12KN27O7S9-
• Molecular Weight: 2570.29 g/mol
• Exact Mass: 2566.49
• IUPAC Name: potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate
• SMILES: C1CNCCN1.CCO[C-]=O.CO.CSc1nc2c(F)cc(-c3cc(C)c4nc(C)cn4n3)cc2s1.Cc1cc(F)c(N)c(F)c1.Cc1cn2nc(-c3cc(F)c(N)c(F)c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4[nH]c(=S)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(S(C)(=O)=O)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(S(C)=O)sc4c3)cc(C)c2n1.Cc1cn2nc(Cl)cc(C)c2n1.Nc1c(F)cc(Br)cc1F.O.[2H]CF.[2H]CF.[K+].[SH-]
• InChI: InChI=1S/C16H13FN4O2S2.C16H13FN4OS2.C16H13FN4S2.C15H11FN4S2.C14H12F2N4.C8H8ClN3.C7H7F2N.C6H4BrF2N.C4H10N2.C3H5O2.2CH3F.CH4O.K.H2O.H2S/c1-8-4-12(20-21-7-9(2)18-15(8)21)10-5-11(17)14-13(6-10)24-16(19-14)25(3,22)23;1-8-4-12(20-21-7-9(2)18-15(8)21)10-5-11(17)14-13(6-10)23-16(19-14)24(3)22;1-8-4-12(20-21-7-9(2)18-15(8)21)10-5-11(17)14-13(6-10)23-16(19-14)22-3;1-7-3-11(19-20-6-8(2)17-14(7)20)9-4-10(16)13-12(5-9)22-15(21)18-13;1-7-3-12(19-20-6-8(2)18-14(7)20)9-4-10(15)13(17)11(16)5-9;1-5-3-7(9)11-12-4-6(2)10-8(5)12;1-4-2-5(8)7(10)6(9)3-4;7-3-1-4(8)6(10)5(9)2-3;1-2-6-4-3-5-1;1-2-5-3-4;3*1-2;;;/h4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,18,21);3-6H,17H2,1-2H3;3-4H,1-2H3;2-3H,10H2,1H3;1-2H,10H2;5-6H,1-4H2;2H2,1H3;2*1H3;2H,1H3;;2*1H2/q;;;;;;;;;-1;;;;+1;;/p-1/i;;;;;;;;;;2*1D
• InChIKey: FCVIJUHGHUFOKT-MMSYHLCRSA-M
• XLogP: 20.57
• TPSA: 466.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 10
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2570.29
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate?

The IUPAC name of potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate (CID 158649684) is potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate.

What is the SMILES notation for potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate?

The canonical SMILES for potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate is C1CNCCN1.CCO[C-]=O.CO.CSc1nc2c(F)cc(-c3cc(C)c4nc(C)cn4n3)cc2s1.Cc1cc(F)c(N)c(F)c1.Cc1cn2nc(-c3cc(F)c(N)c(F)c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4[nH]c(=S)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(S(C)(=O)=O)sc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(S(C)=O)sc4c3)cc(C)c2n1.Cc1cn2nc(Cl)cc(C)c2n1.Nc1c(F)cc(Br)cc1F.O.[2H]CF.[2H]CF.[K+].[SH-].

What is the InChIKey of potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate?

The InChIKey is FCVIJUHGHUFOKT-MMSYHLCRSA-M. The full InChI is InChI=1S/C16H13FN4O2S2.C16H13FN4OS2.C16H13FN4S2.C15H11FN4S2.C14H12F2N4.C8H8ClN3.C7H7F2N.C6H4BrF2N.C4H10N2.C3H5O2.2CH3F.CH4O.K.H2O.H2S/c1-8-4-12(20-21-7-9(2)18-15(8)21)10-5-11(17)14-13(6-10)24-16(19-14)25(3,22)23;1-8-4-12(20-21-7-9(2)18-15(8)21)10-5-11(17)14-13(6-10)23-16(19-14)24(3)22;1-8-4-12(20-21-7-9(2)18-15(8)21)10-5-11(17)14-13(6-10)23-16(19-14)22-3;1-7-3-11(19-20-6-8(2)17-14(7)20)9-4-10(16)13-12(5-9)22-15(21)18-13;1-7-3-12(19-20-6-8(2)18-14(7)20)9-4-10(15)13(17)11(16)5-9;1-5-3-7(9)11-12-4-6(2)10-8(5)12;1-4-2-5(8)7(10)6(9)3-4;7-3-1-4(8)6(10)5(9)2-3;1-2-6-4-3-5-1;1-2-5-3-4;3*1-2;;;/h4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3,(H,18,21);3-6H,17H2,1-2H3;3-4H,1-2H3;2-3H,10H2,1H3;1-2H,10H2;5-6H,1-4H2;2H2,1H3;2*1H3;2H,1H3;;2*1H2/q;;;;;;;;;-1;;;;+1;;/p-1/i;;;;;;;;;;2*1D;;;;.

What are the key properties of potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate?

potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate has a molecular weight of 2570.29 g/mol, XLogP of 20.57, 10 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;4-bromo-2,6-difluoroaniline;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;deuterio(fluoro)methane;2,6-difluoro-4-methylaniline;4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2,6-difluoroaniline;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-3H-1,3-benzothiazole-2-thione;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfanyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfinyl-1,3-benzothiazole;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-methylsulfonyl-1,3-benzothiazole;ethoxymethanone;methanol;piperazine;sulfanide;hydrate is sourced from PubChem (CID 158649684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).