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2448-55-7 | 1,4-DITHIIN-2,3,5,6-TETRACARBONITRILE
CAS No: 2448-55-7 Catalog No: AG002OAC MDL No:
Product Description
Catalog Number:
AG002OAC
Chemical Name:
1,4-DITHIIN-2,3,5,6-TETRACARBONITRILE
CAS Number:
2448-55-7
Molecular Formula:
C8N4S2
Molecular Weight:
216.2424
IUPAC Name:
1,4-dithiine-2,3,5,6-tetracarbonitrile
InChI:
InChI=1S/C8N4S2/c9-1-5-6(2-10)14-8(4-12)7(3-11)13-5
InChI Key:
NKIPKZDOGWGPNS-UHFFFAOYSA-N
SMILES:
N#CC1=C(C#N)SC(=C(S1)C#N)C#N
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.956g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
215.956g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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