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Home Other Building Blocks 2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydro-1,2-benzothiazol-3-one

2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydro-1,2-benzothiazol-3-one

CAS No.:
727664-91-7
Catalog Number:
AG01AFTV
Molecular Formula:
C15H12FNOS
Molecular Weight:
273.3253
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Product Description
Catalog Number:
AG01AFTV
Chemical Name:
2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydro-1,2-benzothiazol-3-one
CAS Number:
727664-91-7
Molecular Formula:
C15H12FNOS
Molecular Weight:
273.3253
MDL Number:
MFCD05859599
IUPAC Name:
2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
InChI:
InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3
InChI Key:
GRGDWLDSVPJEJU-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)sn(c2=O)c1cc(C)ccc1C
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.062g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.325g/mol
Monoisotopic Mass:
273.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. Journal of medicinal chemistry 20110526
Properties