[1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium

C11H23N2S2+ — CID 101120563

IUPAC[1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium
SMILESCCN(CC)C(CC(=S)S)=[N+](CC)CC
InChIInChI=1S/C11H22N2S2/c1-5-12(6-2)10(9-11(14)15)13(7-3)8-4/h5-9H2,1-4H3/p+1
InChIKeyIDPJIERWQSLGAF-UHFFFAOYSA-O
MW247.45 g/mol
LogP2.43
Rot. Bonds6

About [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium

[1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium (PubChem CID 101120563) has the molecular formula C11H23N2S2+ and a molecular weight of 247.45 g/mol. Its IUPAC name is [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium.

Molecular Properties

Compound Name[1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium
PubChem CID101120563
Molecular FormulaC11H23N2S2+
Molecular Weight247.45 g/mol
Exact Mass247.13
IUPAC Name[1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium
SMILESCCN(CC)C(CC(=S)S)=[N+](CC)CC
InChIInChI=1S/C11H22N2S2/c1-5-12(6-2)10(9-11(14)15)13(7-3)8-4/h5-9H2,1-4H3/p+1
InChIKeyIDPJIERWQSLGAF-UHFFFAOYSA-O
XLogP2.43
TPSA6.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(Diethylamino)-2-diethylazaniumylideneethanedithioate
CID 10900518
N,N-diethyl-N'-methylethanimidamide;ethane;propane-1-thiol
CID 156751234
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide;ethane
CID 156861475
ethane;N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645840
[1-(Diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium
CID 10900519
(C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylcarbamodithioic acid
CID 11643609
2-(1,3-Dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-2-methylpropanedithioic acid
CID 15400894
2-(1,3-Dimethyl-4,5-dihydroimidazol-1-ium-2-yl)ethanedithioate
CID 15400895
2-(1,3-Dimethyl-4,5-dihydroimidazol-1-ium-2-yl)ethanedithioic acid
CID 15400896
N,N'-dimethyl-N-(3-sulfanylpropyl)ethanimidamide
CID 156861476
N-ethyl-N'-methyl-N-(3-sulfanylpropyl)ethanimidamide
CID 170645841
3-(Diethylamino)-3-diethylazaniumylidenepropanedithioate
CID 177469708

Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium?
The IUPAC name of [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium (CID 101120563) is [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium.
What is the SMILES notation for [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium?
The canonical SMILES for [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium is CCN(CC)C(CC(=S)S)=[N+](CC)CC.
What is the InChIKey of [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium?
The InChIKey is IDPJIERWQSLGAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2S2/c1-5-12(6-2)10(9-11(14)15)13(7-3)8-4/h5-9H2,1-4H3/p+1.
What are the key properties of [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium?
[1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium has a molecular weight of 247.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-3-sulfanyl-3-sulfanylidenepropylidene]-diethylazanium is sourced from PubChem (CID 101120563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).