2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc

C11H9F3N4S2Zn-4 — CID 168986213

IUPAC2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc
SMILESFC(F)(F)c1ccc2nc([S-])c([S-])nc2c1.[NH-]CC[NH-].[Zn]
InChIInChI=1S/C9H5F3N2S2.C2H6N2.Zn/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5;3-1-2-4;/h1-3H,(H,13,15)(H,14,16);3-4H,1-2H2;/q;-2;/p-2
InChIKeyLWNJHJLCLDUVQA-UHFFFAOYSA-L
MW383.74 g/mol
LogP3.55
Rot. Bonds1

About 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc

2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc (PubChem CID 168986213) has the molecular formula C11H9F3N4S2Zn-4 and a molecular weight of 383.74 g/mol. Its IUPAC name is 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc.

Molecular Properties

Compound Name2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc
PubChem CID168986213
Molecular FormulaC11H9F3N4S2Zn-4
Molecular Weight383.74 g/mol
Exact Mass381.95
IUPAC Name2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc
SMILESFC(F)(F)c1ccc2nc([S-])c([S-])nc2c1.[NH-]CC[NH-].[Zn]
InChIInChI=1S/C9H5F3N2S2.C2H6N2.Zn/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5;3-1-2-4;/h1-3H,(H,13,15)(H,14,16);3-4H,1-2H2;/q;-2;/p-2
InChIKeyLWNJHJLCLDUVQA-UHFFFAOYSA-L
XLogP3.55
TPSA73.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc?
The IUPAC name of 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc (CID 168986213) is 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc.
What is the SMILES notation for 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc?
The canonical SMILES for 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc is FC(F)(F)c1ccc2nc([S-])c([S-])nc2c1.[NH-]CC[NH-].[Zn].
What is the InChIKey of 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc?
The InChIKey is LWNJHJLCLDUVQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H5F3N2S2.C2H6N2.Zn/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5;3-1-2-4;/h1-3H,(H,13,15)(H,14,16);3-4H,1-2H2;/q;-2;/p-2.
What are the key properties of 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc?
2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc has a molecular weight of 383.74 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidylethylazanide;6-(trifluoromethyl)quinoxaline-2,3-dithiolate;zinc is sourced from PubChem (CID 168986213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).