5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one

C11H9NOS — CID 10442877

IUPAC5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one
SMILESO=c1[nH]ccc2c1-c1ccsc1CC2
InChIInChI=1S/C11H9NOS/c13-11-10-7(3-5-12-11)1-2-9-8(10)4-6-14-9/h3-6H,1-2H2,(H,12,13)
InChIKeyANFXRYISGYZCHH-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.20
Rot. Bonds

About 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one

5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one (PubChem CID 10442877) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one.

Molecular Properties

Compound Name5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one
PubChem CID10442877
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one
SMILESO=c1[nH]ccc2c1-c1ccsc1CC2
InChIInChI=1S/C11H9NOS/c13-11-10-7(3-5-12-11)1-2-9-8(10)4-6-14-9/h3-6H,1-2H2,(H,12,13)
InChIKeyANFXRYISGYZCHH-UHFFFAOYSA-N
XLogP2.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one 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 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one?
The IUPAC name of 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one (CID 10442877) is 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one.
What is the SMILES notation for 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one?
The canonical SMILES for 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one is O=c1[nH]ccc2c1-c1ccsc1CC2.
What is the InChIKey of 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one?
The InChIKey is ANFXRYISGYZCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-11-10-7(3-5-12-11)1-2-9-8(10)4-6-14-9/h3-6H,1-2H2,(H,12,13).
What are the key properties of 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one?
5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one has a molecular weight of 203.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-2H-thieno[2,3-h]isoquinolin-1-one is sourced from PubChem (CID 10442877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).