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2514-30-9 | 2 - (4 - Methylphenyl) - 1,2 - benzisothiazol - 3(2H)-one
CAS No: 2514-30-9 Catalog No: AG00BJJI MDL No:MFCD05856231
Product Description
Catalog Number:
AG00BJJI
Chemical Name:
2 - (4 - Methylphenyl) - 1,2 - benzisothiazol - 3(2H)-one
CAS Number:
2514-30-9
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
MDL Number:
MFCD05856231
IUPAC Name:
2-(4-methylphenyl)-1,2-benzothiazol-3-one
InChI:
InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
InChI Key:
KRXMYBAZKJBJAB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1sc2c(c1=O)cccc2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen. | The Journal of biological chemistry 20130329 |
| Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. | Journal of medicinal chemistry 20110526 |
| Inhibitors of the salicylate synthase (MbtI) from Mycobacterium tuberculosis discovered by high-throughput screening. | ChemMedChem 20101203 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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