1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine

C84H63N7S7 — CID 159558502

About 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine

1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine (PubChem CID 159558502) has the molecular formula C84H63N7S7 and a molecular weight of 1394.95 g/mol. Its IUPAC name is 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine
• PubChem CID: 159558502
• Molecular Formula: C84H63N7S7
• Molecular Weight: 1394.95 g/mol
• Exact Mass: 1393.32
• IUPAC Name: 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine
• SMILES: Cc1cc2sc3ccccc3c2cn1.Cc1ccc2c(c1)sc1ccncc12.Cc1ccc2sc3ccncc3c2c1.Cc1cccc2c1sc1ccncc12.Cc1cccc2sc3ccncc3c12.Cc1cncc2c1sc1ccccc12.Cc1nccc2sc3ccccc3c12
• InChI: InChI=1S/7C12H9NS/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11;1-8-2-3-9-10-7-13-5-4-11(10)14-12(9)6-8;1-8-3-2-4-11-12(8)9-7-13-6-5-10(9)14-11;1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9;1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10;1-8-6-12-10(7-13-8)9-4-2-3-5-11(9)14-12;1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-13-8/h7*2-7H,1H3
• InChIKey: MGHMPCUKPLJBJH-UHFFFAOYSA-N
• XLogP: 26.31
• TPSA: 90.23 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1394.95
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine?

The IUPAC name of 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine (CID 159558502) is 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine.

What is the SMILES notation for 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine?

The canonical SMILES for 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine is Cc1cc2sc3ccccc3c2cn1.Cc1ccc2c(c1)sc1ccncc12.Cc1ccc2sc3ccncc3c2c1.Cc1cccc2c1sc1ccncc12.Cc1cccc2sc3ccncc3c12.Cc1cncc2c1sc1ccccc12.Cc1nccc2sc3ccccc3c12.

What is the InChIKey of 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine?

The InChIKey is MGHMPCUKPLJBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/7C12H9NS/c1-8-2-3-11-9(6-8)10-7-13-5-4-12(10)14-11;1-8-2-3-9-10-7-13-5-4-11(10)14-12(9)6-8;1-8-3-2-4-11-12(8)9-7-13-6-5-10(9)14-11;1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9;1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10;1-8-6-12-10(7-13-8)9-4-2-3-5-11(9)14-12;1-8-12-9-4-2-3-5-10(9)14-11(12)6-7-13-8/h7*2-7H,1H3.

What are the key properties of 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine?

1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 1394.95 g/mol, XLogP of 26.31, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-[1]benzothiolo[3,2-c]pyridine;3-methyl-[1]benzothiolo[3,2-c]pyridine;4-methyl-[1]benzothiolo[3,2-c]pyridine;6-methyl-[1]benzothiolo[3,2-c]pyridine;7-methyl-[1]benzothiolo[3,2-c]pyridine;8-methyl-[1]benzothiolo[3,2-c]pyridine;9-methyl-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 159558502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).