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5325-20-2,MFCD00006698
Catalog No.:AA003HA3
5325-20-2 | 2H-Benzo[b][1,4]thiazin-3(4H)-one
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5g
≥ 99% (HPLC)
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$59.00
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25g
≥ 99% (HPLC)
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100g
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HA3
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
Computed 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  

Synonyms
 
5325-20-2 
2H-Benzo[b][1,4]thiazin-3(4H)-one 
GTFMIJNXNMDHAB-UHFFFAOYSA-N 
3,4-dihydro-2H-1,4-benzothiazin-3-one 
3,4-Dihydro-3-oxo-2H-1,4-benzothiazine 
2H,4H-benzo[e]1,4-thiazin-3-one 
NSC130 
EINECS 226-197-5 
ACMC-1CURS 
1,4-benzothiazin-3-one 
AC1L2I8G 
benzo[1,4]thiazin-3-one 
2H-1,4-Benzothiazin-3(4H)-one 
SCHEMBL13323 
2H-1,4-Benzothiazine-3-ol 
CHEMBL528154 
SCHEMBL7665246 
CTK1H0249 
ZINC50222 
DTXSID20201355 
NSC-130 
HMS1788G07 
HMS3095O23 
(2H)1,4-BENZOTHIAZIN-3(4H)-ONE 
2H-benzo[1,4]thiazin-3-one . 
ACT07800 
2H-1,4-benzothiazine-3(4H)-one 
ANW-31672 
BBL005488 
MFCD00006698 
SBB061807 
STK319190 
WT1348 
(2h),1,4-benzothiazin-3(4h)-one 
2,4-Dihydro-1,4-benzothiazin-3-one 
AKOS001053245 
(2H)1,4-benzothiazin-3 (4H)-one 
MCULE-3780649225 
VZ20072 
KS-00001W98 
AJ-09092 
SMR001547028 
ZB001482 
2H-1,4-Benzothiazin-3(4H)-one, 97% 
AB0049036 
4H-1,4-Benzothiazin-3-one 
AB1004304 
DB-017934 
ST2417191 
ST4010669 
TC-120417 
B4554 
BB 0243568 
CS-0085251 
EU-0050865 
FT-0604627 
1,4-BENZOTHIAZIN-3(4H)-ONE 
V6438 
4B-058 
A-8536 
5325-20-2 (2h)1,4-benzothiazin-3(4h)-one 
AB-321/40172031 
SR-01000509790 
SR-01000509790-1 
I14-46817 
F0001-1373 
A0586/0027053 
GNF-Pf-3697 
InChI=1/C8H7NOS/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10 
null 
C8H7NOS 
C8-H7-N-O-S 
1,4-BENZOTHIAZIN-3 -ONE 
CID21396 
130797-57-8 
MLS002637490 
4H-Benzo[1,4]thiazin-3-one 
Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 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.

Journal: Bioorganic & medicinal chemistry letters 20100115

Title: 2-(4-Chloro-benzoyl-meth-yl)-2H-1,4-benzothia-zin-3(4H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20080401

Title: Benzofused tricycles based on 2-quinoxalinol.

Journal: Journal of combinatorial chemistry 20070101

Title: 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: Journal of combinatorial chemistry 20070101

Title: 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: Journal of combinatorial chemistry 20070101

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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