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2799-68-0 | 2H-1,4-Benzothiazin-3(4H)-one, 1,1-dioxide
CAS No: 2799-68-0 Catalog No: AG00I59J MDL No:MFCD04124683
Product Description
Catalog Number:
AG00I59J
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 1,1-dioxide
CAS Number:
2799-68-0
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
MDL Number:
MFCD04124683
IUPAC Name:
1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
InChI:
InChI=1S/C8H7NO3S/c10-8-5-13(11,12)7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChI Key:
YIWUEDSIYPTYEF-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2S(=O)(=O)C1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.208g/mol
Monoisotopic Mass:
197.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| 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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