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3080-99-7 | 2H-1,4-Benzothiazine, 3,4-dihydro-
CAS No: 3080-99-7 Catalog No: AG0031C3 MDL No:MFCD04038593
Product Description
Catalog Number:
AG0031C3
Chemical Name:
2H-1,4-Benzothiazine, 3,4-dihydro-
CAS Number:
3080-99-7
Molecular Formula:
C8H9NS
Molecular Weight:
151.2288
MDL Number:
MFCD04038593
IUPAC Name:
3,4-dihydro-2H-1,4-benzothiazine
InChI:
InChI=1S/C8H9NS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9H,5-6H2
InChI Key:
YBBLSBDJIKMXNQ-UHFFFAOYSA-N
SMILES:
C1CNc2c(S1)cccc2
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.046g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.227g/mol
Monoisotopic Mass:
151.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Liquid-phase parallel synthesis of combinatorial libraries of substituted 6-carbamoyl-3,4-dihydro-2H-benzo[1,4]thiazines. | Journal of combinatorial chemistry 20060101 |
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