Home Other Building Blocks Benzothiazole,2-methyl-5-(trifluoromethyl)-

Benzothiazole,2-methyl-5-(trifluoromethyl)-

CAS No.:
398-99-2
Catalog Number:
AG00IKZP
Molecular Formula:
C9H6F3NS
Molecular Weight:
217.2108
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Product Description
Catalog Number:
AG00IKZP
Chemical Name:
Benzothiazole,2-methyl-5-(trifluoromethyl)-
CAS Number:
398-99-2
Molecular Formula:
C9H6F3NS
Molecular Weight:
217.2108
MDL Number:
MFCD00022882
IUPAC Name:
2-methyl-5-(trifluoromethyl)-1,3-benzothiazole
InChI:
InChI=1S/C9H6F3NS/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)14-5/h2-4H,1H3
InChI Key:
XXIOZBPOLWETSU-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc(cc2)C(F)(F)F
EC Number:
206-914-8
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.209g/mol
Monoisotopic Mass:
217.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties