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Home Other Building Blocks 4-(Carboxymethyl)-2h-1,4-benzothiazin-3(4h)-one

4-(Carboxymethyl)-2h-1,4-benzothiazin-3(4h)-one

CAS No.:
100637-60-3
Catalog Number:
AG0002JI
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$100
- +
5g
96%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0002JI
Chemical Name:
4-(Carboxymethyl)-2h-1,4-benzothiazin-3(4h)-one
CAS Number:
100637-60-3
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD00665896
IUPAC Name:
2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid
InChI:
InChI=1S/C10H9NO3S/c12-9-6-15-8-4-2-1-3-7(8)11(9)5-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:
JLTWTIZTEXPRTI-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)CSc2c1cccc2
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Synthesis, characterization and pharmacological activity of 4-{[1-substituted aminomethyl-4-arylideneamino-5-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2H-1,4-benzothiazin-3(4H)-ones. European journal of medicinal chemistry 20110901
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
2-(3-Oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetohydrazide. Acta crystallographica. Section E, Structure reports online 20100901
4-(1H-Benzimidazol-2-ylmeth-yl)-2H-1,4-benzothia-zin-3(4H)-one. Acta crystallographica. Section E, Structure reports online 20100601
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