(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide

C8H10INOS — CID 10517928

IUPAC(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide
SMILES[I-].[NH3+]C1CCc2sccc2C1=O
InChIInChI=1S/C8H9NOS.HI/c9-6-1-2-7-5(8(6)10)3-4-11-7;/h3-4,6H,1-2,9H2;1H
InChIKeyQLWLSTXAEXFIST-UHFFFAOYSA-N
MW295.15 g/mol
LogP-2.51
Rot. Bonds

About (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide

(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide (PubChem CID 10517928) has the molecular formula C8H10INOS and a molecular weight of 295.15 g/mol. Its IUPAC name is (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide.

Molecular Properties

Compound Name(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide
PubChem CID10517928
Molecular FormulaC8H10INOS
Molecular Weight295.15 g/mol
Exact Mass294.95
IUPAC Name(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide
SMILES[I-].[NH3+]C1CCc2sccc2C1=O
InChIInChI=1S/C8H9NOS.HI/c9-6-1-2-7-5(8(6)10)3-4-11-7;/h3-4,6H,1-2,9H2;1H
InChIKeyQLWLSTXAEXFIST-UHFFFAOYSA-N
XLogP-2.51
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 5-2.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide?
The IUPAC name of (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide (CID 10517928) is (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide.
What is the SMILES notation for (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide?
The canonical SMILES for (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide is [I-].[NH3+]C1CCc2sccc2C1=O.
What is the InChIKey of (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide?
The InChIKey is QLWLSTXAEXFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS.HI/c9-6-1-2-7-5(8(6)10)3-4-11-7;/h3-4,6H,1-2,9H2;1H.
What are the key properties of (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide?
(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide has a molecular weight of 295.15 g/mol, XLogP of -2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)azanium iodide is sourced from PubChem (CID 10517928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).