2-Benzothiazolamine, 6-[(trifluoromethyl)thio]-


Chemical Name: 2-Benzothiazolamine, 6-[(trifluoromethyl)thio]-
CAS Number: 326-45-4
Product Number: AG00C05B(AGN-PC-0KK7H6)
Synonyms:
MDL No:
Molecular Formula: C8H5F3N2S2
Molecular Weight: 250.2639

Identification/Properties


Computed Properties
Molecular Weight:
250.257g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
249.985g/mol
Monoisotopic Mass:
249.985g/mol
Topological Polar Surface Area:
92.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
236
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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