[[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate

C11H22N2S4 — CID 87210715

IUPAC[[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate
SMILESCC[N+](CC)(C[N+](CC)(CC)C(=S)[S-])C(=S)[S-]
InChIInChI=1S/C11H22N2S4/c1-5-12(6-2,10(14)15)9-13(7-3,8-4)11(16)17/h5-9H2,1-4H3
InChIKeyGLVDMBXSMTWAJW-UHFFFAOYSA-N
MW310.58 g/mol
LogP2.32
Rot. Bonds6

About [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate

[[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate (PubChem CID 87210715) has the molecular formula C11H22N2S4 and a molecular weight of 310.58 g/mol. Its IUPAC name is [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate.

Molecular Properties

Compound Name[[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate
PubChem CID87210715
Molecular FormulaC11H22N2S4
Molecular Weight310.58 g/mol
Exact Mass310.07
IUPAC Name[[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate
SMILESCC[N+](CC)(C[N+](CC)(CC)C(=S)[S-])C(=S)[S-]
InChIInChI=1S/C11H22N2S4/c1-5-12(6-2,10(14)15)9-13(7-3,8-4)11(16)17/h5-9H2,1-4H3
InChIKeyGLVDMBXSMTWAJW-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate?
The IUPAC name of [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate (CID 87210715) is [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate.
What is the SMILES notation for [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate?
The canonical SMILES for [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate is CC[N+](CC)(C[N+](CC)(CC)C(=S)[S-])C(=S)[S-].
What is the InChIKey of [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate?
The InChIKey is GLVDMBXSMTWAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S4/c1-5-12(6-2,10(14)15)9-13(7-3,8-4)11(16)17/h5-9H2,1-4H3.
What are the key properties of [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate?
[[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate has a molecular weight of 310.58 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate is sourced from PubChem (CID 87210715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).