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15448-99-4 | 2-Methylbenzo[d]isothiazol-3(2H);-one 1,1-dioxide
CAS No: 15448-99-4 Catalog No: AG003HOO MDL No:MFCD00059263
Product Description
Catalog Number:
AG003HOO
Chemical Name:
2-Methylbenzo[d]isothiazol-3(2H);-one 1,1-dioxide
CAS Number:
15448-99-4
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
MDL Number:
MFCD00059263
IUPAC Name:
2-methyl-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3
InChI Key:
DDIIAJRLFATEEE-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2S(=O)(=O)N1C
EC Number:
239-466-7
UNII:
T63VBY3AYH
NSC Number:
39120
Properties
Complexity:
330
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.208g/mol
Monoisotopic Mass:
197.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| A 1:1 co-crystal of the herbicide triflusulfuron-methyl and its degradation product triazine amine. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Sensitized photoxygenation of piroxicam in neat solvents and solvent mixtures. | Journal of photochemistry and photobiology. B, Biology 20011231 |
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