[diethylamino(methylsulfanyl)methylidene]-dimethylazanium

C8H19N2S+ — CID 87470964

IUPAC[diethylamino(methylsulfanyl)methylidene]-dimethylazanium
SMILESCCN(CC)C(SC)=[N+](C)C
InChIInChI=1S/C8H19N2S/c1-6-10(7-2)8(11-5)9(3)4/h6-7H2,1-5H3/q+1
InChIKeyURDIJXPXFCDZRC-UHFFFAOYSA-N
MW175.32 g/mol
LogP1.32
Rot. Bonds2

About [diethylamino(methylsulfanyl)methylidene]-dimethylazanium

[diethylamino(methylsulfanyl)methylidene]-dimethylazanium (PubChem CID 87470964) has the molecular formula C8H19N2S+ and a molecular weight of 175.32 g/mol. Its IUPAC name is [diethylamino(methylsulfanyl)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[diethylamino(methylsulfanyl)methylidene]-dimethylazanium
PubChem CID87470964
Molecular FormulaC8H19N2S+
Molecular Weight175.32 g/mol
Exact Mass175.13
IUPAC Name[diethylamino(methylsulfanyl)methylidene]-dimethylazanium
SMILESCCN(CC)C(SC)=[N+](C)C
InChIInChI=1S/C8H19N2S/c1-6-10(7-2)8(11-5)9(3)4/h6-7H2,1-5H3/q+1
InChIKeyURDIJXPXFCDZRC-UHFFFAOYSA-N
XLogP1.32
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 [diethylamino(methylsulfanyl)methylidene]-dimethylazanium?
The IUPAC name of [diethylamino(methylsulfanyl)methylidene]-dimethylazanium (CID 87470964) is [diethylamino(methylsulfanyl)methylidene]-dimethylazanium.
What is the SMILES notation for [diethylamino(methylsulfanyl)methylidene]-dimethylazanium?
The canonical SMILES for [diethylamino(methylsulfanyl)methylidene]-dimethylazanium is CCN(CC)C(SC)=[N+](C)C.
What is the InChIKey of [diethylamino(methylsulfanyl)methylidene]-dimethylazanium?
The InChIKey is URDIJXPXFCDZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2S/c1-6-10(7-2)8(11-5)9(3)4/h6-7H2,1-5H3/q+1.
What are the key properties of [diethylamino(methylsulfanyl)methylidene]-dimethylazanium?
[diethylamino(methylsulfanyl)methylidene]-dimethylazanium has a molecular weight of 175.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylamino(methylsulfanyl)methylidene]-dimethylazanium is sourced from PubChem (CID 87470964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).