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18712-14-6 | 1,2-Benzisothiazole, 3-methoxy-, 1,1-dioxide
CAS No: 18712-14-6 Catalog No: AG007542 MDL No:
Product Description
Catalog Number:
AG007542
Chemical Name:
1,2-Benzisothiazole, 3-methoxy-, 1,1-dioxide
CAS Number:
18712-14-6
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
IUPAC Name:
3-methoxy-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C8H7NO3S/c1-12-8-6-4-2-3-5-7(6)13(10,11)9-8/h2-5H,1H3
InChI Key:
LGFRHWQFYVQIFJ-UHFFFAOYSA-N
SMILES:
COC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.208g/mol
Monoisotopic Mass:
197.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| 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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