isocyanomethanedithioate;tetraethylazanium

C10H20N2S2 — CID 158938812

IUPACisocyanomethanedithioate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.[C-]#[N+]C(=S)[S-]
InChIInChI=1S/C8H20N.C2HNS2/c1-5-9(6-2,7-3)8-4;1-3-2(4)5/h5-8H2,1-4H3;(H,4,5)/q+1;/p-1
InChIKeyYIKYWKZHHLISJR-UHFFFAOYSA-M
MW232.42 g/mol
LogP2.62
Rot. Bonds4

About isocyanomethanedithioate;tetraethylazanium

isocyanomethanedithioate;tetraethylazanium (PubChem CID 158938812) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is isocyanomethanedithioate;tetraethylazanium.

Molecular Properties

Compound Nameisocyanomethanedithioate;tetraethylazanium
PubChem CID158938812
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Nameisocyanomethanedithioate;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.[C-]#[N+]C(=S)[S-]
InChIInChI=1S/C8H20N.C2HNS2/c1-5-9(6-2,7-3)8-4;1-3-2(4)5/h5-8H2,1-4H3;(H,4,5)/q+1;/p-1
InChIKeyYIKYWKZHHLISJR-UHFFFAOYSA-M
XLogP2.62
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 isocyanomethanedithioate;tetraethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

methanol;tetraethylazanium;hydroxide
CID 159654840
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
carbon monoxide;cobalt;tetraethylazanium
CID 131852192
tetraethylazanium;fluoride;dihydrate
CID 2776564
bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)
CID 12984553
[[diethyl(sulfidocarbothioyl)azaniumyl]methyl-diethylazaniumyl]methanedithioate
CID 87210715
methylazanium;tetraethylazanium;chloride;iodide
CID 172809050
tetraethylazanium;trihydroxy(oxido)silane
CID 173007855
dihydroxy(oxo)phosphanium;tetraethylazanium
CID 175533770
oxalic acid;tetraethylazanium
CID 24888116

Frequently Asked Questions

What is the IUPAC name of isocyanomethanedithioate;tetraethylazanium?
The IUPAC name of isocyanomethanedithioate;tetraethylazanium (CID 158938812) is isocyanomethanedithioate;tetraethylazanium.
What is the SMILES notation for isocyanomethanedithioate;tetraethylazanium?
The canonical SMILES for isocyanomethanedithioate;tetraethylazanium is CC[N+](CC)(CC)CC.[C-]#[N+]C(=S)[S-].
What is the InChIKey of isocyanomethanedithioate;tetraethylazanium?
The InChIKey is YIKYWKZHHLISJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C2HNS2/c1-5-9(6-2,7-3)8-4;1-3-2(4)5/h5-8H2,1-4H3;(H,4,5)/q+1;/p-1.
What are the key properties of isocyanomethanedithioate;tetraethylazanium?
isocyanomethanedithioate;tetraethylazanium has a molecular weight of 232.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanomethanedithioate;tetraethylazanium is sourced from PubChem (CID 158938812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).