1-benzothiophen-5-yl(oxo)azanium

C8H6NOS+ — CID 163853586

IUPAC1-benzothiophen-5-yl(oxo)azanium
SMILESO=[NH+]c1ccc2sccc2c1
InChIInChI=1S/C8H5NOS/c10-9-7-1-2-8-6(5-7)3-4-11-8/h1-5H/p+1
InChIKeyOWKZPRZXXDVLIR-UHFFFAOYSA-O
MW164.21 g/mol
LogP1.38
Rot. Bonds1

About 1-benzothiophen-5-yl(oxo)azanium

1-benzothiophen-5-yl(oxo)azanium (PubChem CID 163853586) has the molecular formula C8H6NOS+ and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-benzothiophen-5-yl(oxo)azanium.

Molecular Properties

Compound Name1-benzothiophen-5-yl(oxo)azanium
PubChem CID163853586
Molecular FormulaC8H6NOS+
Molecular Weight164.21 g/mol
Exact Mass164.02
IUPAC Name1-benzothiophen-5-yl(oxo)azanium
SMILESO=[NH+]c1ccc2sccc2c1
InChIInChI=1S/C8H5NOS/c10-9-7-1-2-8-6(5-7)3-4-11-8/h1-5H/p+1
InChIKeyOWKZPRZXXDVLIR-UHFFFAOYSA-O
XLogP1.38
TPSA31.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzothiophen-5-yl(oxo)azanium 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 1-benzothiophen-5-yl(oxo)azanium?
The IUPAC name of 1-benzothiophen-5-yl(oxo)azanium (CID 163853586) is 1-benzothiophen-5-yl(oxo)azanium.
What is the SMILES notation for 1-benzothiophen-5-yl(oxo)azanium?
The canonical SMILES for 1-benzothiophen-5-yl(oxo)azanium is O=[NH+]c1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophen-5-yl(oxo)azanium?
The InChIKey is OWKZPRZXXDVLIR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H5NOS/c10-9-7-1-2-8-6(5-7)3-4-11-8/h1-5H/p+1.
What are the key properties of 1-benzothiophen-5-yl(oxo)azanium?
1-benzothiophen-5-yl(oxo)azanium has a molecular weight of 164.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-5-yl(oxo)azanium is sourced from PubChem (CID 163853586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).