[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide

C8H19IN2S — CID 22756144

IUPAC[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide
SMILESCC(C)SC(N(C)C)=[N+](C)C.[I-]
InChIInChI=1S/C8H19N2S.HI/c1-7(2)11-8(9(3)4)10(5)6;/h7H,1-6H3;1H/q+1;/p-1
InChIKeyGIRFBOOWHZRRDG-UHFFFAOYSA-M
MW302.23 g/mol
LogP-1.68
Rot. Bonds1

About [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide

[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide (PubChem CID 22756144) has the molecular formula C8H19IN2S and a molecular weight of 302.23 g/mol. Its IUPAC name is [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide.

Molecular Properties

Compound Name[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide
PubChem CID22756144
Molecular FormulaC8H19IN2S
Molecular Weight302.23 g/mol
Exact Mass302.03
IUPAC Name[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide
SMILESCC(C)SC(N(C)C)=[N+](C)C.[I-]
InChIInChI=1S/C8H19N2S.HI/c1-7(2)11-8(9(3)4)10(5)6;/h7H,1-6H3;1H/q+1;/p-1
InChIKeyGIRFBOOWHZRRDG-UHFFFAOYSA-M
XLogP-1.68
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide 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 [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide?
The IUPAC name of [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide (CID 22756144) is [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide.
What is the SMILES notation for [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide?
The canonical SMILES for [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide is CC(C)SC(N(C)C)=[N+](C)C.[I-].
What is the InChIKey of [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide?
The InChIKey is GIRFBOOWHZRRDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19N2S.HI/c1-7(2)11-8(9(3)4)10(5)6;/h7H,1-6H3;1H/q+1;/p-1.
What are the key properties of [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide?
[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide has a molecular weight of 302.23 g/mol, XLogP of -1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium iodide is sourced from PubChem (CID 22756144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).