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Home Other Building Blocks 2-(4-Methylphenyl)-1,2-benzisothiazol-3(2h)-one

2-(4-Methylphenyl)-1,2-benzisothiazol-3(2h)-one

CAS No.:
2514-30-9
Catalog Number:
AG00BJJI
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
≥98%
1 week
United States
$158
- +
10mg
≥98%
1 week
United States
$239
- +
25mg
≥98%
1 week
United States
$460
- +
250mg
95%
1 week
United States
$532
- +
1g
95%
1 week
United States
$1274
- +
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
Properties