sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide

C144H138Br5ClIN6NaO17S2Si2 — CID 158772923

About sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide

sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide (PubChem CID 158772923) has the molecular formula C144H138Br5ClIN6NaO17S2Si2 and a molecular weight of 2929.89 g/mol. Its IUPAC name is sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide.

Molecular Properties

• Compound Name: sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide
• PubChem CID: 158772923
• Molecular Formula: C144H138Br5ClIN6NaO17S2Si2
• Molecular Weight: 2929.89 g/mol
• Exact Mass: 2922.36
• IUPAC Name: sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide
• SMILES: C#C[Si](C)(C)C.C#Cc1ccc2cc(C3(C(=O)OC)CC3)ccc2c1.COC(=O)C1(c2ccc3cc(Br)ccc3c2)CC1.COC(=O)C1(c2ccc3cc(C#C[Si](C)(C)C)ccc3c2)CC1.COC(=O)C1(c2ccc3cc(C#Cc4snc(C)c4NC(=O)O[C@H](C)c4ccccc4)ccc3c2)CC1.Cc1nsc(I)c1NC(=O)O[C@H](C)c1ccccc1.ClCCBr.O=C(O)C1(c2ccc3cc(Br)ccc3c2)CC1.OCCO.[C-]#[N+]C1(c2ccc3cc(Br)ccc3c2)CC1.[C-]#[N+]Cc1ccc2cc(Br)ccc2c1.[Na+].[OH-]
• InChI: InChI=1S/C30H26N2O4S.C20H22O2Si.C17H14O2.C15H13BrO2.C14H10BrN.C14H11BrO2.C13H13IN2O2S.C12H8BrN.C5H10Si.C2H4BrCl.C2H6O2.Na.H2O/c1-19-27(31-29(34)36-20(2)22-7-5-4-6-8-22)26(37-32-19)14-10-21-9-11-24-18-25(13-12-23(24)17-21)30(15-16-30)28(33)35-3;1-22-19(21)20(10-11-20)18-8-7-16-13-15(5-6-17(16)14-18)9-12-23(2,3)4;1-3-12-4-5-14-11-15(7-6-13(14)10-12)17(8-9-17)16(18)19-2;1-18-14(17)15(6-7-15)12-4-2-11-9-13(16)5-3-10(11)8-12;1-16-14(6-7-14)12-4-2-11-9-13(15)5-3-10(11)8-12;15-12-4-2-9-7-11(3-1-10(9)8-12)14(5-6-14)13(16)17;1-8-11(12(14)19-16-8)15-13(17)18-9(2)10-6-4-3-5-7-10;1-14-8-9-2-3-11-7-12(13)5-4-10(11)6-9;1-5-6(2,3)4;2*3-1-2-4;;/h4-9,11-13,17-18,20H,15-16H2,1-3H3,(H,31,34);5-8,13-14H,10-11H2,1-4H3;1,4-7,10-11H,8-9H2,2H3;2-5,8-9H,6-7H2,1H3;2-5,8-9H,6-7H2;1-4,7-8H,5-6H2,(H,16,17);3-7,9H,1-2H3,(H,15,17);2-7H,8H2;1H,2-4H3;1-2H2;3-4H,1-2H2;;1H2/q;;;;;;;;;;;+1;/p-1/t20-;;;;;;9-;;;;;;/m1.....1....../s1
• InChIKey: IQCIERFRWGPGKV-VBSGIXAJSA-M
• XLogP: 33.16
• TPSA: 324.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2929.89
LogP ≤ 5	33.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide?

The IUPAC name of sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide (CID 158772923) is sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide.

What is the SMILES notation for sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide?

The canonical SMILES for sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide is C#C[Si](C)(C)C.C#Cc1ccc2cc(C3(C(=O)OC)CC3)ccc2c1.COC(=O)C1(c2ccc3cc(Br)ccc3c2)CC1.COC(=O)C1(c2ccc3cc(C#C[Si](C)(C)C)ccc3c2)CC1.COC(=O)C1(c2ccc3cc(C#Cc4snc(C)c4NC(=O)O[C@H](C)c4ccccc4)ccc3c2)CC1.Cc1nsc(I)c1NC(=O)O[C@H](C)c1ccccc1.ClCCBr.O=C(O)C1(c2ccc3cc(Br)ccc3c2)CC1.OCCO.[C-]#[N+]C1(c2ccc3cc(Br)ccc3c2)CC1.[C-]#[N+]Cc1ccc2cc(Br)ccc2c1.[Na+].[OH-].

What is the InChIKey of sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide?

The InChIKey is IQCIERFRWGPGKV-VBSGIXAJSA-M. The full InChI is InChI=1S/C30H26N2O4S.C20H22O2Si.C17H14O2.C15H13BrO2.C14H10BrN.C14H11BrO2.C13H13IN2O2S.C12H8BrN.C5H10Si.C2H4BrCl.C2H6O2.Na.H2O/c1-19-27(31-29(34)36-20(2)22-7-5-4-6-8-22)26(37-32-19)14-10-21-9-11-24-18-25(13-12-23(24)17-21)30(15-16-30)28(33)35-3;1-22-19(21)20(10-11-20)18-8-7-16-13-15(5-6-17(16)14-18)9-12-23(2,3)4;1-3-12-4-5-14-11-15(7-6-13(14)10-12)17(8-9-17)16(18)19-2;1-18-14(17)15(6-7-15)12-4-2-11-9-13(16)5-3-10(11)8-12;1-16-14(6-7-14)12-4-2-11-9-13(15)5-3-10(11)8-12;15-12-4-2-9-7-11(3-1-10(9)8-12)14(5-6-14)13(16)17;1-8-11(12(14)19-16-8)15-13(17)18-9(2)10-6-4-3-5-7-10;1-14-8-9-2-3-11-7-12(13)5-4-10(11)6-9;1-5-6(2,3)4;2*3-1-2-4;;/h4-9,11-13,17-18,20H,15-16H2,1-3H3,(H,31,34);5-8,13-14H,10-11H2,1-4H3;1,4-7,10-11H,8-9H2,2H3;2-5,8-9H,6-7H2,1H3;2-5,8-9H,6-7H2;1-4,7-8H,5-6H2,(H,16,17);3-7,9H,1-2H3,(H,15,17);2-7H,8H2;1H,2-4H3;1-2H2;3-4H,1-2H2;;1H2/q;;;;;;;;;;;+1;/p-1/t20-;;;;;;9-;;;;;;/m1.....1....../s1.

What are the key properties of sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide?

sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide has a molecular weight of 2929.89 g/mol, XLogP of 33.16, 20 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-bromo-2-chloroethane;2-bromo-6-(1-isocyanocyclopropyl)naphthalene;2-bromo-6-(isocyanomethyl)naphthalene;1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylic acid;ethane-1,2-diol;ethynyl(trimethyl)silane;methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-(6-ethynylnaphthalen-2-yl)cyclopropane-1-carboxylate;methyl 1-[6-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-5-yl]ethynyl]naphthalen-2-yl]cyclopropane-1-carboxylate;methyl 1-[6-(2-trimethylsilylethynyl)naphthalen-2-yl]cyclopropane-1-carboxylate;[(1R)-1-phenylethyl] N-(5-iodo-3-methyl-1,2-thiazol-4-yl)carbamate;hydroxide is sourced from PubChem (CID 158772923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).