Home Nitriles 2,1,3-Benzothiadiazole-4,7-dicarbonitrile

2,1,3-Benzothiadiazole-4,7-dicarbonitrile

CAS No.:
20138-79-8
Catalog Number:
AG00BIFN
Molecular Formula:
C8H2N4S
Molecular Weight:
186.1933
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Product Description
Catalog Number:
AG00BIFN
Chemical Name:
2,1,3-Benzothiadiazole-4,7-dicarbonitrile
CAS Number:
20138-79-8
Molecular Formula:
C8H2N4S
Molecular Weight:
186.1933
MDL Number:
MFCD22421514
IUPAC Name:
2,1,3-benzothiadiazole-4,7-dicarbonitrile
InChI:
InChI=1S/C8H2N4S/c9-3-5-1-2-6(4-10)8-7(5)11-13-12-8/h1-2H
InChI Key:
POMSJEIURSYOHQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1nsn2)C#N
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.192g/mol
Monoisotopic Mass:
186g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties