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Home Other Building Blocks 2,4-Dihydro-1,4-benzothiazin-3-one

2,4-Dihydro-1,4-benzothiazin-3-one

CAS No.:
5325-20-2
Catalog Number:
AG003HCV
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$207
- +
Product Description
Catalog Number:
AG003HCV
Chemical Name:
2,4-Dihydro-1,4-benzothiazin-3-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
Properties