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5325-20-2 | 2H-Benzo[b][1,4]thiazin-3(4H)-one
CAS No: 5325-20-2 Catalog No: AG003HCV MDL No:MFCD00006698
Product Description
Catalog Number:
AG003HCV
Chemical Name:
2H-Benzo[b][1,4]thiazin-3(4H)-one
CAS Number:
5325-20-2
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD00006698
IUPAC Name:
4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C8H7NOS/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChI Key:
GTFMIJNXNMDHAB-UHFFFAOYSA-N
SMILES:
O=C1CSc2c(N1)cccc2
EC Number:
226-197-5
NSC Number:
130
Properties
Complexity:
172
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Fluconazole analogues containing 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moieties, a novel class of anti-Candida agents. | Bioorganic & medicinal chemistry letters 20100115 |
| 2-(4-Chloro-benzoyl-meth-yl)-2H-1,4-benzothia-zin-3(4H)-one. | Acta crystallographica. Section E, Structure reports online 20080401 |
| Benzofused tricycles based on 2-quinoxalinol. | Journal of combinatorial chemistry 20070101 |
| Parallel solution-phase synthesis of 4H-benzo[1,4]thiazin-3-one and 1,1-dioxo-1,4-dihydro-2H-1lambda6-benzo[1,4]thiazin-3-one derivatives from 1,5-difluoro-2,4-dinitrobenzene. | Journal of combinatorial chemistry 20070101 |
| Design and synthesis of novel tricycles based on 4H-benzo[1,4]thiazin-3-one and 1,1-dioxo-1,4-dihydro-2H-1lambda6-benzo[1,4]thiazin-3-one. | Journal of combinatorial chemistry 20070101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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