6-Benzothiazolecarbonitrile


Chemical Name: 6-Benzothiazolecarbonitrile
CAS Number: 58249-61-9
Product Number: AG00ECAH(AGN-PC-0N7FLO)
Synonyms:
MDL No:
Molecular Formula: C8H4N2S
Molecular Weight: 160.1958

Identification/Properties


Properties
MP:
137-138℃
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
160.194g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
160.01g/mol
Monoisotopic Mass:
160.01g/mol
Topological Polar Surface Area:
64.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
196
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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