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100637-60-3,MFCD00665896
Catalog No.:AA0002GQ
100637-60-3 | 4-(Carboxymethyl)-2h-1,4-benzothiazin-3(4h)-one
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1g
96%
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$143.00   $100.00
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5g
96%
in stock  
$572.00   $400.00
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002GQ
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
Computed 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  

Synonyms
 
100637-60-3 
(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid 
2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid 
TimTec1_007302 
MLS000033392 
AC1Q75T2 
SCHEMBL4971618 
CHEMBL1822229 
CTK0I3678 
DTXSID90349415 
JLTWTIZTEXPRTI-UHFFFAOYSA-N 
HMS1554L20 
2-(3-Oxo-2H-benzo[b][1,4]thiazin-4(3H)-yl)acetic acid 
HMS2373N09 
ZINC266807 
KS-00002A7P 
ANW-14332 
MFCD00665896 
SBB096505 
AKOS000104297 
MCULE-2464623298 
NE28699 
PS-4530 
4-(Carboxymethyl)-2H-1,4-benzothiazin-3(4H)-one 
AJ-18618 
BAS 07153857 
RT-005484 
ST24039335 
Z6299 
EN300-13027 
(3-oxo-2H-1,4-benzothiazin-4-yl)acetic acid 
AB00408724-05 
J-501233 
2-(3-oxo-2H-benzo[e]1,4-thiazin-4-yl)acetic acid 
2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid 
Z89270869 
(3-oxo-2,3-dihydrobenzo[1,4]thiazin-4-yl)acetic acid 
4H-1,4-Benzothiazine-4-aceticacid,2,3-dihydro-3-oxo- 
4H-1,4-Benzothiazine-4-acetic acid, 2,3-dihydro-3-oxo- 
4H-1,4-Benzothiazine-4-aceticacid, 2,3-dihydro-3-oxo- 
(3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL)ACETICACID 
(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid, AldrichCPR 
C10H9NO3S 
CID645976 
(2,3-Dihydro-3-oxo-4H-1,4-benzothiazin-4-yl)acetic acid 
(3-Oxo-2,3-dihydro-benzo[1,4]thiazin-4-yl)-acetic acid 
AC1LDCMW 
SMR000014239 
ACMC-2097ri 
Literature

Title: 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.

Journal: European journal of medicinal chemistry 20110901

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 2-(3-Oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetohydrazide.

Journal: Acta crystallographica. Section E, Structure reports online 20100901

Title: 4-(1H-Benzimidazol-2-ylmeth-yl)-2H-1,4-benzothia-zin-3(4H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20100601

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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