ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium

C156H194N10S6+8 — CID 158124590

About ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium

ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium (PubChem CID 158124590) has the molecular formula C156H194N10S6+8 and a molecular weight of 2401.74 g/mol. Its IUPAC name is ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium.

Molecular Properties

• Compound Name: ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium
• PubChem CID: 158124590
• Molecular Formula: C156H194N10S6+8
• Molecular Weight: 2401.74 g/mol
• Exact Mass: 2399.38
• IUPAC Name: ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[n+]1ccccc1-c1c2cc3ccccc3cc2cc[n+]1C.Cc1c(-c2c3sc4ccccc4c3cc[n+]2C)ccc2ccccc12.Cc1c(-c2c3sccc3cc[n+]2C)ccc2ccccc12.Cc1c(-c2c3sccc3nc[n+]2C)ccc2ccccc12.Cc1ccccc1-c1c2sc3ccccc3c2cc[n+]1C.Cc1ccccc1-c1c2sccc2cc[n+]1C.Cc1ccccc1-c1c2sccc2nc[n+]1C
• InChI: InChI=1S/C23H18NS.C20H18N2.2C19H16NS.C18H15N2S.C15H14NS.C14H13N2S.14C2H6/c1-15-17-8-4-3-7-16(17)11-12-18(15)22-23-20(13-14-24(22)2)19-9-5-6-10-21(19)25-23;1-21-11-6-5-9-19(21)20-18-14-16-8-4-3-7-15(16)13-17(18)10-12-22(20)2;1-13-7-3-4-8-14(13)18-19-16(11-12-20(18)2)15-9-5-6-10-17(15)21-19;1-13-16-6-4-3-5-14(16)7-8-17(13)18-19-15(10-12-21-19)9-11-20(18)2;1-12-14-6-4-3-5-13(14)7-8-15(12)17-18-16(9-10-21-18)19-11-20(17)2;1-11-5-3-4-6-13(11)14-15-12(8-10-17-15)7-9-16(14)2;1-10-5-3-4-6-11(10)13-14-12(7-8-17-14)15-9-16(13)2;14*1-2/h3-14H,1-2H3;3-14H,1-2H3;2*3-12H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;14*1-2H3/q+1;+2;5*+1
• InChIKey: PWVDNQQZPMLSEB-UHFFFAOYSA-N
• XLogP: 44.44
• TPSA: 56.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2401.74
LogP ≤ 5	44.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium?

The IUPAC name of ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium (CID 158124590) is ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium.

What is the SMILES notation for ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium?

The canonical SMILES for ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[n+]1ccccc1-c1c2cc3ccccc3cc2cc[n+]1C.Cc1c(-c2c3sc4ccccc4c3cc[n+]2C)ccc2ccccc12.Cc1c(-c2c3sccc3cc[n+]2C)ccc2ccccc12.Cc1c(-c2c3sccc3nc[n+]2C)ccc2ccccc12.Cc1ccccc1-c1c2sc3ccccc3c2cc[n+]1C.Cc1ccccc1-c1c2sccc2cc[n+]1C.Cc1ccccc1-c1c2sccc2nc[n+]1C.

What is the InChIKey of ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium?

The InChIKey is PWVDNQQZPMLSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18NS.C20H18N2.2C19H16NS.C18H15N2S.C15H14NS.C14H13N2S.14C2H6/c1-15-17-8-4-3-7-16(17)11-12-18(15)22-23-20(13-14-24(22)2)19-9-5-6-10-21(19)25-23;1-21-11-6-5-9-19(21)20-18-14-16-8-4-3-7-15(16)13-17(18)10-12-22(20)2;1-13-7-3-4-8-14(13)18-19-16(11-12-20(18)2)15-9-5-6-10-17(15)21-19;1-13-16-6-4-3-5-14(16)7-8-17(13)18-19-15(10-12-21-19)9-11-20(18)2;1-12-14-6-4-3-5-13(14)7-8-15(12)17-18-16(9-10-21-18)19-11-20(17)2;1-11-5-3-4-6-13(11)14-15-12(8-10-17-15)7-9-16(14)2;1-10-5-3-4-6-11(10)13-14-12(7-8-17-14)15-9-16(13)2;14*1-2/h3-14H,1-2H3;3-14H,1-2H3;2*3-12H,1-2H3;3-11H,1-2H3;3-10H,1-2H3;3-9H,1-2H3;14*1-2H3/q+1;+2;5*+1;;;;;;;;;;;;;;.

What are the key properties of ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium?

ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium has a molecular weight of 2401.74 g/mol, XLogP of 44.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methyl-1-(1-methylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(1-methylnaphthalen-2-yl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(1-methylnaphthalen-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium;6-methyl-7-(2-methylphenyl)thieno[2,3-c]pyridin-6-ium;3-methyl-4-(2-methylphenyl)thieno[3,2-d]pyrimidin-3-ium;2-methyl-1-(1-methylpyridin-1-ium-2-yl)benzo[g]isoquinolin-2-ium is sourced from PubChem (CID 158124590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).