[diethylamino(methylsulfanyl)methylidene]-diethylazanium

C10H23N2S+ — CID 87470958

IUPAC[diethylamino(methylsulfanyl)methylidene]-diethylazanium
SMILESCCN(CC)C(SC)=[N+](CC)CC
InChIInChI=1S/C10H23N2S/c1-6-11(7-2)10(13-5)12(8-3)9-4/h6-9H2,1-5H3/q+1
InChIKeyOKEYGCJGISYNMR-UHFFFAOYSA-N
MW203.37 g/mol
LogP2.10
Rot. Bonds4

About [diethylamino(methylsulfanyl)methylidene]-diethylazanium

[diethylamino(methylsulfanyl)methylidene]-diethylazanium (PubChem CID 87470958) has the molecular formula C10H23N2S+ and a molecular weight of 203.37 g/mol. Its IUPAC name is [diethylamino(methylsulfanyl)methylidene]-diethylazanium.

Molecular Properties

Compound Name[diethylamino(methylsulfanyl)methylidene]-diethylazanium
PubChem CID87470958
Molecular FormulaC10H23N2S+
Molecular Weight203.37 g/mol
Exact Mass203.16
IUPAC Name[diethylamino(methylsulfanyl)methylidene]-diethylazanium
SMILESCCN(CC)C(SC)=[N+](CC)CC
InChIInChI=1S/C10H23N2S/c1-6-11(7-2)10(13-5)12(8-3)9-4/h6-9H2,1-5H3/q+1
InChIKeyOKEYGCJGISYNMR-UHFFFAOYSA-N
XLogP2.10
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 52.10
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]-diethylazanium?
The IUPAC name of [diethylamino(methylsulfanyl)methylidene]-diethylazanium (CID 87470958) is [diethylamino(methylsulfanyl)methylidene]-diethylazanium.
What is the SMILES notation for [diethylamino(methylsulfanyl)methylidene]-diethylazanium?
The canonical SMILES for [diethylamino(methylsulfanyl)methylidene]-diethylazanium is CCN(CC)C(SC)=[N+](CC)CC.
What is the InChIKey of [diethylamino(methylsulfanyl)methylidene]-diethylazanium?
The InChIKey is OKEYGCJGISYNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2S/c1-6-11(7-2)10(13-5)12(8-3)9-4/h6-9H2,1-5H3/q+1.
What are the key properties of [diethylamino(methylsulfanyl)methylidene]-diethylazanium?
[diethylamino(methylsulfanyl)methylidene]-diethylazanium has a molecular weight of 203.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylamino(methylsulfanyl)methylidene]-diethylazanium is sourced from PubChem (CID 87470958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).