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5147-72-8 | 1,2-Benzisothiazol-3(2H)-one, 2-(2-naphthalenyl)-
CAS No: 5147-72-8 Catalog No: AG006VSE MDL No:
Product Description
Catalog Number:
AG006VSE
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-(2-naphthalenyl)-
CAS Number:
5147-72-8
Molecular Formula:
C17H11NOS
Molecular Weight:
277.3403
IUPAC Name:
2-naphthalen-2-yl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C17H11NOS/c19-17-15-7-3-4-8-16(15)20-18(17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChI Key:
IJUXICAHHHJXOE-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2sn1c1ccc2c(c1)cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.341g/mol
Monoisotopic Mass:
277.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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 |
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