8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline

C86H97N3S3 — CID 162289776

About 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline

8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline (PubChem CID 162289776) has the molecular formula C86H97N3S3 and a molecular weight of 1268.94 g/mol. Its IUPAC name is 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline
• PubChem CID: 162289776
• Molecular Formula: C86H97N3S3
• Molecular Weight: 1268.94 g/mol
• Exact Mass: 1267.68
• IUPAC Name: 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline
• SMILES: CC(C)C1CCc2cccc(C3C(C)C(C)C4c5c(sc6ccccc56)C=CC34)c2N1.CCC1CCc2cccc(C3C(C)C(C)C4c5c(sc6ccccc56)C=CC34)c2N1.CCCC1CCc2cccc(C3C(C)C(C)C4c5c(sc6ccccc56)C=CC34)c2N1
• InChI: InChI=1S/2C29H33NS.C28H31NS/c1-16(2)23-14-12-19-8-7-10-22(29(19)30-23)26-17(3)18(4)27-21(26)13-15-25-28(27)20-9-5-6-11-24(20)31-25;1-4-8-20-14-13-19-9-7-11-23(29(19)30-20)26-17(2)18(3)27-22(26)15-16-25-28(27)21-10-5-6-12-24(21)31-25;1-4-19-13-12-18-8-7-10-22(28(18)29-19)25-16(2)17(3)26-21(25)14-15-24-27(26)20-9-5-6-11-23(20)30-24/h5-11,13,15-18,21,23,26-27,30H,12,14H2,1-4H3;5-7,9-12,15-18,20,22,26-27,30H,4,8,13-14H2,1-3H3;5-11,14-17,19,21,25-26,29H,4,12-13H2,1-3H3
• InChIKey: MEQVTYWSMXQLMC-UHFFFAOYSA-N
• XLogP: 24.14
• TPSA: 36.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1268.94
LogP ≤ 5	24.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline?

The IUPAC name of 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline (CID 162289776) is 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline is CC(C)C1CCc2cccc(C3C(C)C(C)C4c5c(sc6ccccc56)C=CC34)c2N1.CCC1CCc2cccc(C3C(C)C(C)C4c5c(sc6ccccc56)C=CC34)c2N1.CCCC1CCc2cccc(C3C(C)C(C)C4c5c(sc6ccccc56)C=CC34)c2N1.

What is the InChIKey of 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline?

The InChIKey is MEQVTYWSMXQLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H33NS.C28H31NS/c1-16(2)23-14-12-19-8-7-10-22(29(19)30-23)26-17(3)18(4)27-21(26)13-15-25-28(27)20-9-5-6-11-24(20)31-25;1-4-8-20-14-13-19-9-7-11-23(29(19)30-20)26-17(2)18(3)27-22(26)15-16-25-28(27)21-10-5-6-12-24(21)31-25;1-4-19-13-12-18-8-7-10-22(28(18)29-19)25-16(2)17(3)26-21(25)14-15-24-27(26)20-9-5-6-11-23(20)30-24/h5-11,13,15-18,21,23,26-27,30H,12,14H2,1-4H3;5-7,9-12,15-18,20,22,26-27,30H,4,8,13-14H2,1-3H3;5-11,14-17,19,21,25-26,29H,4,12-13H2,1-3H3.

What are the key properties of 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline?

8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 1268.94 g/mol, XLogP of 24.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-ethyl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propan-2-yl-1,2,3,4-tetrahydroquinoline;8-(1,2-dimethyl-2,3,3a,10c-tetrahydro-1H-indeno[5,4-b][1]benzothiol-3-yl)-2-propyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 162289776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).