[1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium

C10H21N2S2+ — CID 10900519

IUPAC[1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium
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/p+1
InChIKeyHKIFASFFVNAXFT-UHFFFAOYSA-O
MW233.43 g/mol
LogP2.04
Rot. Bonds5

About [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium

[1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium (PubChem CID 10900519) has the molecular formula C10H21N2S2+ and a molecular weight of 233.43 g/mol. Its IUPAC name is [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium.

Molecular Properties

Compound Name[1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium
PubChem CID10900519
Molecular FormulaC10H21N2S2+
Molecular Weight233.43 g/mol
Exact Mass233.11
IUPAC Name[1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium
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/p+1
InChIKeyHKIFASFFVNAXFT-UHFFFAOYSA-O
XLogP2.04
TPSA6.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.43
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium?
The IUPAC name of [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium (CID 10900519) is [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium.
What is the SMILES notation for [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium?
The canonical SMILES for [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium is CCN(CC)C(C(=S)S)=[N+](CC)CC.
What is the InChIKey of [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium?
The InChIKey is HKIFASFFVNAXFT-UHFFFAOYSA-O. 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/p+1.
What are the key properties of [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium?
[1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium has a molecular weight of 233.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)-2-sulfanyl-2-sulfanylideneethylidene]-diethylazanium is sourced from PubChem (CID 10900519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).