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76273-52-4 | Ethanone, 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)-
CAS No: 76273-52-4 Catalog No: AG005707 MDL No:
Product Description
Catalog Number:
AG005707
Chemical Name:
Ethanone, 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)-
CAS Number:
76273-52-4
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
IUPAC Name:
1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone
InChI:
InChI=1S/C12H13NOS/c1-7-4-5-10-11(6-7)15-12(9(3)14)8(2)13-10/h4-6,13H,1-3H3
InChI Key:
CKXVYXAFOXWNIE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)SC(=C(N2)C)C(=O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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