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40352-87-2 | 2,1-benzisothiazol-3(1H)-one
CAS No: 40352-87-2 Catalog No: AG018GMU MDL No:MFCD00043997
Product Description
Catalog Number:
AG018GMU
Chemical Name:
2,1-benzisothiazol-3(1H)-one
CAS Number:
40352-87-2
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD00043997
IUPAC Name:
1H-2,1-benzothiazol-3-one
InChI:
InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)8-10-7/h1-4,8H
InChI Key:
DPBKQJOOSMJCFX-UHFFFAOYSA-N
SMILES:
O=c1s[nH]c2c1cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Interrogating a hexokinase-selected small-molecule library for inhibitors of Plasmodium falciparum hexokinase. | Antimicrobial agents and chemotherapy 20130801 |
| Probenazole induces systemic acquired resistance in Arabidopsis with a novel type of action. | The Plant journal : for cell and molecular biology 20010101 |
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