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112183-40-1 | 2H-1,4-Benzothiazin-3(4H)-one, 4-(2-oxopropyl)-
CAS No: 112183-40-1 Catalog No: AG008363 MDL No:
Product Description
Catalog Number:
AG008363
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 4-(2-oxopropyl)-
CAS Number:
112183-40-1
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
IUPAC Name:
4-(2-oxopropyl)-1,4-benzothiazin-3-one
InChI:
InChI=1S/C11H11NO2S/c1-8(13)6-12-9-4-2-3-5-10(9)15-7-11(12)14/h2-5H,6-7H2,1H3
InChI Key:
QADZTSBMFOQINT-UHFFFAOYSA-N
SMILES:
CC(=O)CN1C(=O)CSc2c1cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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