2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole

C91H82BrCl9N4O3S4 — CID 157071763

About 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole

2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole (PubChem CID 157071763) has the molecular formula C91H82BrCl9N4O3S4 and a molecular weight of 1806.93 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole
• PubChem CID: 157071763
• Molecular Formula: C91H82BrCl9N4O3S4
• Molecular Weight: 1806.93 g/mol
• Exact Mass: 1800.16
• IUPAC Name: 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole
• SMILES: COc1ccc(C)cc1Cl.COc1ccc2sc(C)nc2c1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2cc(Br)ccc2c1.Cc1sc2cc(Cl)ccc2c1C
• InChI: InChI=1S/C11H9Br.C10H10ClN.C10H9ClS.2C9H8ClN.C9H7ClO.C9H7ClS2.C9H9NOS.C8H9ClO.C7H6Cl2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5/h2-7H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3
• InChIKey: ACMZMEVQQUXEQH-UHFFFAOYSA-N
• XLogP: 34.19
• TPSA: 91.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1806.93
LogP ≤ 5	34.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole?

The IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole (CID 157071763) is 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole.

What is the SMILES notation for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole?

The canonical SMILES for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole is COc1ccc(C)cc1Cl.COc1ccc2sc(C)nc2c1.Cc1[nH]c2cc(Cl)ccc2c1C.Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2[nH]1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2cc(Br)ccc2c1.Cc1sc2cc(Cl)ccc2c1C.

What is the InChIKey of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole?

The InChIKey is ACMZMEVQQUXEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.C10H10ClN.C10H9ClS.2C9H8ClN.C9H7ClO.C9H7ClS2.C9H9NOS.C8H9ClO.C7H6Cl2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;2*1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-6-4-7-5-8(10)2-3-9(7)11-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-6(8)7(9)4-5/h2-7H,1H3;3-5,12H,1-2H3;3-5H,1-2H3;2*2-5,11H,1H3;2-5H,1H3;2-5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3.

What are the key properties of 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole?

2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole has a molecular weight of 1806.93 g/mol, XLogP of 34.19, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-methylnaphthalene;6-chloro-2,3-dimethyl-1-benzothiophene;6-chloro-2,3-dimethyl-1H-indole;2-chloro-1-methoxy-4-methylbenzene;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1H-indole;6-chloro-2-methyl-1H-indole;2-chloro-5-(5-methylthiophen-2-yl)thiophene;1,2-dichloro-4-methylbenzene;5-methoxy-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 157071763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).