1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane

C297H556N20O7S9 — CID 162015470

About 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane

1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane (PubChem CID 162015470) has the molecular formula C297H556N20O7S9 and a molecular weight of 4808.45 g/mol. Its IUPAC name is 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane.

Molecular Properties

• Compound Name: 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane
• PubChem CID: 162015470
• Molecular Formula: C297H556N20O7S9
• Molecular Weight: 4808.45 g/mol
• Exact Mass: 4804.13
• IUPAC Name: 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1CCOC1.C1CCSC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CN1CCCC1.CN1CCc2ccccc21.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nn(C)c2ccccc12.Cc1nsc2ccccc12.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1nnc2ccccc21.O=S1(=O)CCc2ccccc21.c1ccc2c(c1)CCS2.c1ccc2occc2c1.c1ccc2onnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1
• InChI: InChI=1S/C10H11NO.C10H11NS.2C9H10N2.C9H11N.2C9H9N.C8H7NO.2C8H7NS.C8H8O2S.C8H6O.C8H8S.2C8H6S.C7H7N3.C6H4N2O.C6H4N2S.C5H11N.C4H8O.C4H8S.19C4H10.21C2H6.18CH4/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-8-5-3-4-6-9(8)11(2)10-7;3*1-10-7-6-8-4-2-3-5-9(8)10;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;9-11(10)6-5-7-3-1-2-4-8(7)11;4*1-2-4-8-7(3-1)5-6-9-8;1-10-7-5-3-2-4-6(7)8-9-10;2*1-2-4-6-5(3-1)7-8-9-6;1-6-4-2-3-5-6;2*1-2-4-5-3-1;19*1-4(2)3;21*1-2;;;;;;;;;;;;;;;;;;/h2*3-7H,1-2H3;2*3-6H,1-2H3;2-5H,6-7H2,1H3;2*2-7H,1H3;3*2-5H,1H3;1-4H,5-6H2;1-6H;1-4H,5-6H2;2*1-6H;2-5H,1H3;2*1-4H;2-5H2,1H3;2*1-4H2;19*4H,1-3H3;21*1-2H3;18*1H4
• InChIKey: YUAZNQHUFJBJEY-UHFFFAOYSA-N
• XLogP: 106.59
• TPSA: 294.63 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 2
• Heavy Atoms: 333
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4808.45
LogP ≤ 5	106.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane?

The IUPAC name of 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane (CID 162015470) is 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane.

What is the SMILES notation for 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane?

The canonical SMILES for 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1CCOC1.C1CCSC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CN1CCCC1.CN1CCc2ccccc21.Cc1nc2ccccc2n1C.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nn(C)c2ccccc12.Cc1nsc2ccccc12.Cn1ccc2ccccc21.Cn1ccc2ccccc21.Cn1nnc2ccccc21.O=S1(=O)CCc2ccccc21.c1ccc2c(c1)CCS2.c1ccc2occc2c1.c1ccc2onnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2snnc2c1.

What is the InChIKey of 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane?

The InChIKey is YUAZNQHUFJBJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C10H11NS.2C9H10N2.C9H11N.2C9H9N.C8H7NO.2C8H7NS.C8H8O2S.C8H6O.C8H8S.2C8H6S.C7H7N3.C6H4N2O.C6H4N2S.C5H11N.C4H8O.C4H8S.19C4H10.21C2H6.18CH4/c2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-8-5-3-4-6-9(8)11(2)10-7;3*1-10-7-6-8-4-2-3-5-9(8)10;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;9-11(10)6-5-7-3-1-2-4-8(7)11;4*1-2-4-8-7(3-1)5-6-9-8;1-10-7-5-3-2-4-6(7)8-9-10;2*1-2-4-6-5(3-1)7-8-9-6;1-6-4-2-3-5-6;2*1-2-4-5-3-1;19*1-4(2)3;21*1-2;;;;;;;;;;;;;;;;;;/h2*3-7H,1-2H3;2*3-6H,1-2H3;2-5H,6-7H2,1H3;2*2-7H,1H3;3*2-5H,1H3;1-4H,5-6H2;1-6H;1-4H,5-6H2;2*1-6H;2-5H,1H3;2*1-4H;2-5H2,1H3;2*1-4H2;19*4H,1-3H3;21*1-2H3;18*1H4.

What are the key properties of 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane?

1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane has a molecular weight of 4808.45 g/mol, XLogP of 106.59, 2 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran;1,2,3-benzothiadiazole;bis(1-benzothiophene);1,2,3-benzoxadiazole;2,3-dihydro-1-benzothiophene;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,2-dimethylbenzimidazole;1,3-dimethylindazole;ethane;methane;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;1-methylbenzotriazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydroindole;bis(1-methylindole);nonadecakis(2-methylpropane);1-methylpyrrolidine;oxolane;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;thiolane is sourced from PubChem (CID 162015470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).