6-Benzothiazolecarbonitrile, 2-amino-


Chemical Name: 6-Benzothiazolecarbonitrile, 2-amino-
CAS Number: 19759-66-1
Product Number: AG002AXD(AGN-PC-0L98IM)
Synonyms:
MDL No:
Molecular Formula: C8H5N3S
Molecular Weight: 175.2104

Identification/Properties


Computed Properties
Molecular Weight:
175.209g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
175.02g/mol
Monoisotopic Mass:
175.02g/mol
Topological Polar Surface Area:
90.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
222
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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