1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine

C138H128Cl2N10O10S6 — CID 159099397

About 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine

1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine (PubChem CID 159099397) has the molecular formula C138H128Cl2N10O10S6 and a molecular weight of 2349.91 g/mol. Its IUPAC name is 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine.

Molecular Properties

• Compound Name: 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine
• PubChem CID: 159099397
• Molecular Formula: C138H128Cl2N10O10S6
• Molecular Weight: 2349.91 g/mol
• Exact Mass: 2346.75
• IUPAC Name: 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine
• SMILES: Cc1[nH]c2cc(O)ccc2c1C.Cc1cc2ccc(O)cc2[nH]1.Cc1cc2ccc(O)cc2o1.Cc1cc2ccc(O)cc2s1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1cc2cccnc2s1.Cc1cc2ncccc2s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2oc(C)cc2c1.Cc1cccc(C#N)c1.Cc1nc2ccc(O)cc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1sc2cc(O)ccc2c1C.[C-]#[N+]c1ccc(C)cc1
• InChI: InChI=1S/C10H11NO.C10H10OS.C10H10O.C9H9NO.C9H8O2.C9H8OS.C9H8O.C9H8S.C8H8N2O.C8H7NO.3C8H7NS.2C8H7N.C7H6Cl2/c1-6-7(2)11-10-5-8(12)3-4-9(6)10;1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-2-3-8(11)5-9(7)10-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-9-7-3-2-6(11)4-8(7)10-5;1-6-9-7-4-2-3-5-8(7)10-6;1-6-5-7-8(10-6)3-2-4-9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-6-9-7-4-2-3-5-8(7)10-6;1-7-3-5-8(9-2)6-4-7;1-7-3-2-4-8(5-7)6-9;1-5-2-3-6(8)7(9)4-5/h3-5,11-12H,1-2H3;3-5,11H,1-2H3;3-6H,1-2H3;2-5,10-11H,1H3;2*2-5,10H,1H3;2*2-6H,1H3;2-4,11H,1H3,(H,9,10);4*2-5H,1H3;3-6H,1H3;2-5H,1H3;2-4H,1H3
• InChIKey: KDBWHAXNQFPAGG-UHFFFAOYSA-N
• XLogP: 41.50
• TPSA: 313.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2349.91
LogP ≤ 5	41.50
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

The IUPAC name of 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine (CID 159099397) is 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine.

What is the SMILES notation for 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

The canonical SMILES for 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine is Cc1[nH]c2cc(O)ccc2c1C.Cc1cc2ccc(O)cc2[nH]1.Cc1cc2ccc(O)cc2o1.Cc1cc2ccc(O)cc2s1.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1cc2cccnc2s1.Cc1cc2ncccc2s1.Cc1ccc(Cl)c(Cl)c1.Cc1ccc2oc(C)cc2c1.Cc1cccc(C#N)c1.Cc1nc2ccc(O)cc2[nH]1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1sc2cc(O)ccc2c1C.[C-]#[N+]c1ccc(C)cc1.

What is the InChIKey of 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

The InChIKey is KDBWHAXNQFPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C10H10OS.C10H10O.C9H9NO.C9H8O2.C9H8OS.C9H8O.C9H8S.C8H8N2O.C8H7NO.3C8H7NS.2C8H7N.C7H6Cl2/c1-6-7(2)11-10-5-8(12)3-4-9(6)10;1-6-7(2)12-10-5-8(11)3-4-9(6)10;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-2-3-8(11)5-9(7)10-6;2*1-6-4-7-2-3-8(10)5-9(7)11-6;2*1-7-6-8-4-2-3-5-9(8)10-7;1-5-9-7-3-2-6(11)4-8(7)10-5;1-6-9-7-4-2-3-5-8(7)10-6;1-6-5-7-8(10-6)3-2-4-9-7;1-6-5-7-3-2-4-9-8(7)10-6;1-6-9-7-4-2-3-5-8(7)10-6;1-7-3-5-8(9-2)6-4-7;1-7-3-2-4-8(5-7)6-9;1-5-2-3-6(8)7(9)4-5/h3-5,11-12H,1-2H3;3-5,11H,1-2H3;3-6H,1-2H3;2-5,10-11H,1H3;2*2-5,10H,1H3;2*2-6H,1H3;2-4,11H,1H3,(H,9,10);4*2-5H,1H3;3-6H,1H3;2-5H,1H3;2-4H,1H3.

What are the key properties of 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine?

1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine has a molecular weight of 2349.91 g/mol, XLogP of 41.50, 0 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dichloro-4-methylbenzene;2,5-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophen-6-ol;2,3-dimethyl-1H-indol-6-ol;1-isocyano-4-methylbenzene;2-methyl-3H-benzimidazol-5-ol;2-methyl-1-benzofuran;2-methyl-1-benzofuran-6-ol;3-methylbenzonitrile;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;2-methyl-1-benzothiophen-6-ol;2-methyl-1,3-benzoxazole;2-methyl-1H-indol-6-ol;2-methylthieno[2,3-b]pyridine;2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 159099397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).