Home Nitriles [1,2,5]Thiadiazole-3,4-dicarbonitrile

[1,2,5]Thiadiazole-3,4-dicarbonitrile

CAS No.:
23347-22-0
Catalog Number:
AG002MWV
Molecular Formula:
C4N4S
Molecular Weight:
136.1346
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Product Description
Catalog Number:
AG002MWV
Chemical Name:
[1,2,5]Thiadiazole-3,4-dicarbonitrile
CAS Number:
23347-22-0
Molecular Formula:
C4N4S
Molecular Weight:
136.1346
MDL Number:
MFCD00965211
IUPAC Name:
1,2,5-thiadiazole-3,4-dicarbonitrile
InChI:
InChI=1S/C4N4S/c5-1-3-4(2-6)8-9-7-3
InChI Key:
NZCOHPKFJGEXCM-UHFFFAOYSA-N
SMILES:
N#Cc1nsnc1C#N
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.984g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.132g/mol
Monoisotopic Mass:
135.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Interaction of 1,2,5-chalcogenadiazole derivatives with thiophenolate: hypercoordination with formation of interchalcogen bond versus reduction to radical anion. The journal of physical chemistry. A 20110512
Magnetic canting or not? Two isomorphous 3D CoII and NiII coordination polymers with the rare non-interpenetrated (10,3)-d topological network, showing spin-canted antiferromagnetism only in the CoII system. Chemical communications (Cambridge, England) 20070614
Tetrakis(thiadiazole)porphyrazines. 4. Direct template synthesis, structure, general physicochemical behavior, and redox properties of Al(III), Ga(III), and In(III) complexes. Inorganic chemistry 20051114
Synthesis, X-ray crystal structure, UV/visible linear and nonlinear (optical limiting) spectral properties of symmetrical and unsymmetrical porphyrazines with annulated 1,2,5-thiadiazole and 1,4-diamyloxybenzene moieties. Chemistry (Weinheim an der Bergstrasse, Germany) 20030905
Properties