2-(diethylamino)-2-diethylazaniumylideneethanedithioate

C10H20N2S2 — CID 10900518

IUPAC2-(diethylamino)-2-diethylazaniumylideneethanedithioate
SMILESCCN(CC)C(C(=S)[S-])=[N+](CC)CC
InChIInChI=1S/C10H20N2S2/c1-5-11(6-2)9(10(13)14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyHKIFASFFVNAXFT-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.65
Rot. Bonds5

About 2-(diethylamino)-2-diethylazaniumylideneethanedithioate

2-(diethylamino)-2-diethylazaniumylideneethanedithioate (PubChem CID 10900518) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 2-(diethylamino)-2-diethylazaniumylideneethanedithioate.

Molecular Properties

Compound Name2-(diethylamino)-2-diethylazaniumylideneethanedithioate
PubChem CID10900518
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name2-(diethylamino)-2-diethylazaniumylideneethanedithioate
SMILESCCN(CC)C(C(=S)[S-])=[N+](CC)CC
InChIInChI=1S/C10H20N2S2/c1-5-11(6-2)9(10(13)14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyHKIFASFFVNAXFT-UHFFFAOYSA-N
XLogP1.65
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-diethylazaniumylideneethanedithioate?
The IUPAC name of 2-(diethylamino)-2-diethylazaniumylideneethanedithioate (CID 10900518) is 2-(diethylamino)-2-diethylazaniumylideneethanedithioate.
What is the SMILES notation for 2-(diethylamino)-2-diethylazaniumylideneethanedithioate?
The canonical SMILES for 2-(diethylamino)-2-diethylazaniumylideneethanedithioate is CCN(CC)C(C(=S)[S-])=[N+](CC)CC.
What is the InChIKey of 2-(diethylamino)-2-diethylazaniumylideneethanedithioate?
The InChIKey is HKIFASFFVNAXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-5-11(6-2)9(10(13)14)12(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-diethylazaniumylideneethanedithioate?
2-(diethylamino)-2-diethylazaniumylideneethanedithioate has a molecular weight of 232.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-diethylazaniumylideneethanedithioate is sourced from PubChem (CID 10900518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).