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23310-36-3 | 1-methyl-1,3-dihydrobenzo[c]isothiazol-3-one
CAS No: 23310-36-3 Catalog No: AG01CAIQ MDL No:MFCD00275484
Product Description
Catalog Number:
AG01CAIQ
Chemical Name:
1-methyl-1,3-dihydrobenzo[c]isothiazol-3-one
CAS Number:
23310-36-3
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00275484
IUPAC Name:
1-methyl-2,1-benzothiazol-3-one
InChI:
InChI=1S/C8H7NOS/c1-9-7-5-3-2-4-6(7)8(10)11-9/h2-5H,1H3
InChI Key:
GZKBHFYWYXKWJQ-UHFFFAOYSA-N
SMILES:
Cn1sc(=O)c2c1cccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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