9-methyl-[1]benzothiolo[3,2-b]pyridine

C12H9NS — CID 118243263

IUPAC9-methyl-[1]benzothiolo[3,2-b]pyridine
SMILESCc1cccc2sc3cccnc3c12
InChIInChI=1S/C12H9NS/c1-8-4-2-5-9-11(8)12-10(14-9)6-3-7-13-12/h2-7H,1H3
InChIKeyGFRWODVKCQQESN-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.76
Rot. Bonds

About 9-methyl-[1]benzothiolo[3,2-b]pyridine

9-methyl-[1]benzothiolo[3,2-b]pyridine (PubChem CID 118243263) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 9-methyl-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name9-methyl-[1]benzothiolo[3,2-b]pyridine
PubChem CID118243263
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name9-methyl-[1]benzothiolo[3,2-b]pyridine
SMILESCc1cccc2sc3cccnc3c12
InChIInChI=1S/C12H9NS/c1-8-4-2-5-9-11(8)12-10(14-9)6-3-7-13-12/h2-7H,1H3
InChIKeyGFRWODVKCQQESN-UHFFFAOYSA-N
XLogP3.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-methyl-[1]benzothiolo[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 9-methyl-[1]benzothiolo[3,2-b]pyridine (CID 118243263) is 9-methyl-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 9-methyl-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 9-methyl-[1]benzothiolo[3,2-b]pyridine is Cc1cccc2sc3cccnc3c12.
What is the InChIKey of 9-methyl-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is GFRWODVKCQQESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-8-4-2-5-9-11(8)12-10(14-9)6-3-7-13-12/h2-7H,1H3.
What are the key properties of 9-methyl-[1]benzothiolo[3,2-b]pyridine?
9-methyl-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 199.28 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 118243263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).