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

C8H19N2S+ — CID 21324865

IUPAC[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium
SMILESCC(C)SC(N(C)C)=[N+](C)C
InChIInChI=1S/C8H19N2S/c1-7(2)11-8(9(3)4)10(5)6/h7H,1-6H3/q+1
InChIKeyYWEIMARBJIJTIP-UHFFFAOYSA-N
MW175.32 g/mol
LogP1.32
Rot. Bonds1

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

[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium (PubChem CID 21324865) has the molecular formula C8H19N2S+ and a molecular weight of 175.32 g/mol. Its IUPAC name is [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium
PubChem CID21324865
Molecular FormulaC8H19N2S+
Molecular Weight175.32 g/mol
Exact Mass175.13
IUPAC Name[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium
SMILESCC(C)SC(N(C)C)=[N+](C)C
InChIInChI=1S/C8H19N2S/c1-7(2)11-8(9(3)4)10(5)6/h7H,1-6H3/q+1
InChIKeyYWEIMARBJIJTIP-UHFFFAOYSA-N
XLogP1.32
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 51.32
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium?
The IUPAC name of [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium (CID 21324865) is [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium.
What is the SMILES notation for [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium?
The canonical SMILES for [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium is CC(C)SC(N(C)C)=[N+](C)C.
What is the InChIKey of [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium?
The InChIKey is YWEIMARBJIJTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2S/c1-7(2)11-8(9(3)4)10(5)6/h7H,1-6H3/q+1.
What are the key properties of [dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium?
[dimethylamino(propan-2-ylsulfanyl)methylidene]-dimethylazanium has a molecular weight of 175.32 g/mol, XLogP of 1.32, 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 is sourced from PubChem (CID 21324865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).