1H-[1]benzothiolo[3,2-b]pyridin-4-one

C11H7NOS — CID 11413005

IUPAC1H-[1]benzothiolo[3,2-b]pyridin-4-one
SMILESO=c1cc[nH]c2c1sc1ccccc12
InChIInChI=1S/C11H7NOS/c13-8-5-6-12-10-7-3-1-2-4-9(7)14-11(8)10/h1-6H,(H,12,13)
InChIKeyRNLUKZLGWFVWNI-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.74
Rot. Bonds

About 1H-[1]benzothiolo[3,2-b]pyridin-4-one

1H-[1]benzothiolo[3,2-b]pyridin-4-one (PubChem CID 11413005) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is 1H-[1]benzothiolo[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name1H-[1]benzothiolo[3,2-b]pyridin-4-one
PubChem CID11413005
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name1H-[1]benzothiolo[3,2-b]pyridin-4-one
SMILESO=c1cc[nH]c2c1sc1ccccc12
InChIInChI=1S/C11H7NOS/c13-8-5-6-12-10-7-3-1-2-4-9(7)14-11(8)10/h1-6H,(H,12,13)
InChIKeyRNLUKZLGWFVWNI-UHFFFAOYSA-N
XLogP2.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-[1]benzothiolo[3,2-b]pyridin-4-one?
The IUPAC name of 1H-[1]benzothiolo[3,2-b]pyridin-4-one (CID 11413005) is 1H-[1]benzothiolo[3,2-b]pyridin-4-one.
What is the SMILES notation for 1H-[1]benzothiolo[3,2-b]pyridin-4-one?
The canonical SMILES for 1H-[1]benzothiolo[3,2-b]pyridin-4-one is O=c1cc[nH]c2c1sc1ccccc12.
What is the InChIKey of 1H-[1]benzothiolo[3,2-b]pyridin-4-one?
The InChIKey is RNLUKZLGWFVWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c13-8-5-6-12-10-7-3-1-2-4-9(7)14-11(8)10/h1-6H,(H,12,13).
What are the key properties of 1H-[1]benzothiolo[3,2-b]pyridin-4-one?
1H-[1]benzothiolo[3,2-b]pyridin-4-one has a molecular weight of 201.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1]benzothiolo[3,2-b]pyridin-4-one is sourced from PubChem (CID 11413005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).