7,8-dihydro-[1]benzothiolo[2,3-b]pyridine

C11H9NS — CID 152942948

IUPAC7,8-dihydro-[1]benzothiolo[2,3-b]pyridine
SMILESC1=Cc2c(sc3ncccc23)CC1
InChIInChI=1S/C11H9NS/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1,3-5,7H,2,6H2
InChIKeyUNEKOUFXIUWDMV-UHFFFAOYSA-N
MW187.27 g/mol
LogP3.26
Rot. Bonds

About 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine

7,8-dihydro-[1]benzothiolo[2,3-b]pyridine (PubChem CID 152942948) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name7,8-dihydro-[1]benzothiolo[2,3-b]pyridine
PubChem CID152942948
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name7,8-dihydro-[1]benzothiolo[2,3-b]pyridine
SMILESC1=Cc2c(sc3ncccc23)CC1
InChIInChI=1S/C11H9NS/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1,3-5,7H,2,6H2
InChIKeyUNEKOUFXIUWDMV-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,8-dihydro-[1]benzothiolo[2,3-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 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine (CID 152942948) is 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine is C1=Cc2c(sc3ncccc23)CC1.
What is the InChIKey of 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is UNEKOUFXIUWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1,3-5,7H,2,6H2.
What are the key properties of 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine?
7,8-dihydro-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 187.27 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 152942948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).