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91119-45-8 | 2H-1,4-Benzothiazin-3(4H)-one, 4-ethyl-6-[1-(hydroxyimino)ethyl]-
CAS No: 91119-45-8 Catalog No: AG006QSR MDL No:
Product Description
Catalog Number:
AG006QSR
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 4-ethyl-6-[1-(hydroxyimino)ethyl]-
CAS Number:
91119-45-8
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
4-ethyl-6-(N-hydroxy-C-methylcarbonimidoyl)-1,4-benzothiazin-3-one
InChI:
InChI=1S/C12H14N2O2S/c1-3-14-10-6-9(8(2)13-16)4-5-11(10)17-7-12(14)15/h4-6,16H,3,7H2,1-2H3
InChI Key:
OHNWWSQATGENPB-UHFFFAOYSA-N
SMILES:
CCN1C(=O)CSc2c1cc(cc2)C(=NO)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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