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777-12-8 | 2-Amino-6-(trifluoromethyl)-1,3-benzothiazole
CAS No: 777-12-8 Catalog No: AG0038FZ MDL No:MFCD00269597
Product Description
Catalog Number:
AG0038FZ
Chemical Name:
2-Amino-6-(trifluoromethyl)-1,3-benzothiazole
CAS Number:
777-12-8
Molecular Formula:
C8H5F3N2S
Molecular Weight:
218.1989
MDL Number:
MFCD00269597
IUPAC Name:
6-(trifluoromethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChI Key:
WEDYEBJLWMPPOK-UHFFFAOYSA-N
SMILES:
Nc1nc2c(s1)cc(cc2)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:
2.9
Literature
| Title | Journal |
|---|---|
| Effective killing of the human pathogen Candida albicans by a specific inhibitor of non-essential mitotic kinesin Kip1p. | Molecular microbiology 20070701 |
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