Home Other Building Blocks 5-Benzothiazolamine,2-(trifluoromethyl)-(9CI)

5-Benzothiazolamine,2-(trifluoromethyl)-(9CI)

CAS No.:
58460-24-5
Catalog Number:
AG00EOPT
Molecular Formula:
C8H5F3N2S
Molecular Weight:
218.1989
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Product Description
Catalog Number:
AG00EOPT
Chemical Name:
5-Benzothiazolamine,2-(trifluoromethyl)-(9CI)
CAS Number:
58460-24-5
Molecular Formula:
C8H5F3N2S
Molecular Weight:
218.1989
MDL Number:
MFCD18821454
IUPAC Name:
2-(trifluoromethyl)-1,3-benzothiazol-5-amine
InChI:
InChI=1S/C8H5F3N2S/c9-8(10,11)7-13-5-3-4(12)1-2-6(5)14-7/h1-3H,12H2
InChI Key:
CTCYOMZRHNZGRF-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)nc(s2)C(F)(F)F
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.013g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.197g/mol
Monoisotopic Mass:
218.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties