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37142-87-3 | 4-methyl-1,4-benzothiazin-3-one
CAS No: 37142-87-3 Catalog No: AG01DJ0H MDL No:
Product Description
Catalog Number:
AG01DJ0H
Chemical Name:
4-methyl-1,4-benzothiazin-3-one
CAS Number:
37142-87-3
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
4-methyl-1,4-benzothiazin-3-one
InChI:
InChI=1S/C9H9NOS/c1-10-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3
InChI Key:
SHUQPYGJXCEBIM-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1C)cccc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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