Home Other Building Blocks 2-Benzothiazolamine, 4-(trifluoromethoxy)-

2-Benzothiazolamine, 4-(trifluoromethoxy)-

CAS No.:
235101-36-7
Catalog Number:
AG002NH9
Molecular Formula:
C8H5F3N2OS
Molecular Weight:
234.1983
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Product Description
Catalog Number:
AG002NH9
Chemical Name:
2-Benzothiazolamine, 4-(trifluoromethoxy)-
CAS Number:
235101-36-7
Molecular Formula:
C8H5F3N2OS
Molecular Weight:
234.1983
MDL Number:
MFCD11189728
IUPAC Name:
4-(trifluoromethoxy)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-2-1-3-5-6(4)13-7(12)15-5/h1-3H,(H2,12,13)
InChI Key:
YSURRMGJTOKALN-UHFFFAOYSA-N
SMILES:
Nc1sc2c(n1)c(ccc2)OC(F)(F)F
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.007g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.196g/mol
Monoisotopic Mass:
234.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties