2-Benzothiazolecarboxaldehyde


Chemical Name: 2-Benzothiazolecarboxaldehyde
CAS Number: 6639-57-2
Product Number: AG00FASN(AGN-PC-0JOG6B)
Synonyms:
MDL No:
Molecular Formula: C8H5NOS
Molecular Weight: 163.1964

Identification/Properties


Computed Properties
Molecular Weight:
163.194g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
163.009g/mol
Monoisotopic Mass:
163.009g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
162
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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