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82461-88-9 | Ethanone, 1-(3,6-dihydro-2-phenyl-2H-1,3-thiazin-5-yl)-
CAS No: 82461-88-9 Catalog No: AG0059K7 MDL No:
Product Description
Catalog Number:
AG0059K7
Chemical Name:
Ethanone, 1-(3,6-dihydro-2-phenyl-2H-1,3-thiazin-5-yl)-
CAS Number:
82461-88-9
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
IUPAC Name:
1-(2-phenyl-3,6-dihydro-2H-1,3-thiazin-5-yl)ethanone
InChI:
InChI=1S/C12H13NOS/c1-9(14)11-7-13-12(15-8-11)10-5-3-2-4-6-10/h2-7,12-13H,8H2,1H3
InChI Key:
VFXAYTJWBVHEJV-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CNC(SC1)c1ccccc1
Properties
Complexity:
269
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:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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