6-Nitro-1,3-Dithiolo-(4,5-b)-quinoxaline-2-ylidene-propanedinitrile

HCID 320793
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC(C#N)=C1Sc2nc3ccc([N+](=O)[O-])cc3nc2S1
InChIKey
KCUQNXLQUHZXPH-UHFFFAOYSA-N
Molecular formula
C12H3N5O2S2
Average molar mass
313.3 g/mol

Names & identifiers

Preferred name
6-Nitro-1,3-Dithiolo-(4,5-b)-quinoxaline-2-ylidene-propanedinitrile
IUPAC
2-(6-nitro-[1,3]dithiolo[4,5-b]quinoxalin-2-ylidene)propanedinitrile

Names & synonyms

NSC269614SCHEMBL8554669KCUQNXLQUHZXPH-UHFFFAOYSA-NNSC-2696146-Nitro-1,3-Dithiolo-(4,5-b)-quinoxaline-2-ylidene-propanedinitrile

Database identifiers

PubChem CID
320793

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
170 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
0
Heavy atoms
21

Related reactions

1 records
New reaction record

Compound notes

Loading…