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2527-66-4 | 2-Methyl-1,2-benzisothiazol-3(2H)-one
CAS No: 2527-66-4 Catalog No: AG003AHN MDL No:MFCD02311302
Product Description
Catalog Number:
AG003AHN
Chemical Name:
2-Methyl-1,2-benzisothiazol-3(2H)-one
CAS Number:
2527-66-4
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD02311302
IUPAC Name:
2-methyl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3
InChI Key:
RDWXSJCICPOOKO-UHFFFAOYSA-N
SMILES:
Cn1sc2c(c1=O)cccc2
UNII:
81PV9X5Y68
NSC Number:
520046
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Interrogating a hexokinase-selected small-molecule library for inhibitors of Plasmodium falciparum hexokinase. | Antimicrobial agents and chemotherapy 20130801 |
| 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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