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56022-26-5 | 2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one
CAS No: 56022-26-5 Catalog No: AG018WRK MDL No:MFCD00491949
Product Description
Catalog Number:
AG018WRK
Chemical Name:
2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one
CAS Number:
56022-26-5
Molecular Formula:
C8H5NOS2
Molecular Weight:
195.2614
MDL Number:
MFCD00491949
IUPAC Name:
2-sulfanylidene-1,3-benzothiazin-4-one
InChI:
InChI=1S/C8H5NOS2/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChI Key:
OLKPPPPATKQSBL-UHFFFAOYSA-N
SMILES:
S=c1sc2ccccc2c(=O)[nH]1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.254g/mol
Monoisotopic Mass:
194.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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