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50823-21-7 | 4,7-Benzothiazoledione,6-methoxy-(9CI)
CAS No: 50823-21-7 Catalog No: AG00DO9I MDL No:
Product Description
Catalog Number:
AG00DO9I
Chemical Name:
4,7-Benzothiazoledione,6-methoxy-(9CI)
CAS Number:
50823-21-7
IUPAC Name:
6-methoxy-1,3-benzothiazole-4,7-dione
InChI:
InChI=1S/C8H5NO3S/c1-12-5-2-4(10)6-8(7(5)11)13-3-9-6/h2-3H,1H3
InChI Key:
HABHDFMCOYESFF-UHFFFAOYSA-N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.192g/mol
Monoisotopic Mass:
194.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and antifungal activities of 5/6-arylamino-4,7-dioxobenzothiazoles. | Bioorganic & medicinal chemistry letters 20000717 |
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