dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate

C46H47Br2IK2N4O7S2 — CID 158552967

About dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate

dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate (PubChem CID 158552967) has the molecular formula C46H47Br2IK2N4O7S2 and a molecular weight of 1196.94 g/mol. Its IUPAC name is dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate.

Molecular Properties

• Compound Name: dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate
• PubChem CID: 158552967
• Molecular Formula: C46H47Br2IK2N4O7S2
• Molecular Weight: 1196.94 g/mol
• Exact Mass: 1193.96
• IUPAC Name: dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate
• SMILES: CI.CSC1=NC2(CC(C3CCCc4ccccc43)Oc3ccc(Br)cc32)C(=O)N1C.O=C1NC(=S)NC12CC(C1CCCc3ccccc31)Oc1ccc(Br)cc12.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C23H23BrN2O2S.C21H19BrN2O2S.CH3I.CH2O3.2K.H/c1-26-21(27)23(25-22(26)29-2)13-20(28-19-11-10-15(24)12-18(19)23)17-9-5-7-14-6-3-4-8-16(14)17;22-13-8-9-17-16(10-13)21(19(25)23-20(27)24-21)11-18(26-17)15-7-3-5-12-4-1-2-6-14(12)15;1-2;2-1-4-3;;;/h3-4,6,8,10-12,17,20H,5,7,9,13H2,1-2H3;1-2,4,6,8-10,15,18H,3,5,7,11H2,(H2,23,24,25,27);1H3;1,3H;;;/q;;;;2*+1;-1/p-1
• InChIKey: LOCCPRVQKUEHAO-UHFFFAOYSA-M
• XLogP: 2.63
• TPSA: 141.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1196.94
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate?

The IUPAC name of dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate (CID 158552967) is dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate.

What is the SMILES notation for dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate?

The canonical SMILES for dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate is CI.CSC1=NC2(CC(C3CCCc4ccccc43)Oc3ccc(Br)cc32)C(=O)N1C.O=C1NC(=S)NC12CC(C1CCCc3ccccc31)Oc1ccc(Br)cc12.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate?

The InChIKey is LOCCPRVQKUEHAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23BrN2O2S.C21H19BrN2O2S.CH3I.CH2O3.2K.H/c1-26-21(27)23(25-22(26)29-2)13-20(28-19-11-10-15(24)12-18(19)23)17-9-5-7-14-6-3-4-8-16(14)17;22-13-8-9-17-16(10-13)21(19(25)23-20(27)24-21)11-18(26-17)15-7-3-5-12-4-1-2-6-14(12)15;1-2;2-1-4-3;;;/h3-4,6,8,10-12,17,20H,5,7,9,13H2,1-2H3;1-2,4,6,8-10,15,18H,3,5,7,11H2,(H2,23,24,25,27);1H3;1,3H;;;/q;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate?

dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate has a molecular weight of 1196.94 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;6-bromo-3'-methyl-2'-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one;6-bromo-2'-sulfanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-yl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-4'-one;hydride;iodomethane;oxido formate is sourced from PubChem (CID 158552967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).