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68252-56-2 | 5,6-Benzothiazolediol,2-methyl-(6CI,7CI,9CI)
CAS No: 68252-56-2 Catalog No: AG00FJPM MDL No:
Product Description
Catalog Number:
AG00FJPM
Chemical Name:
5,6-Benzothiazolediol,2-methyl-(6CI,7CI,9CI)
CAS Number:
68252-56-2
IUPAC Name:
2-methyl-1,3-benzothiazole-5,6-diol
InChI:
InChI=1S/C8H7NO2S/c1-4-9-5-2-6(10)7(11)3-8(5)12-4/h2-3,10-11H,1H3
InChI Key:
SCVRMYXQAOKGMU-UHFFFAOYSA-N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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