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95482-64-7 | Ethanone, 1-(4-methyl-2-phenyl-6H-1,3-thiazin-5-yl)-
CAS No: 95482-64-7 Catalog No: AG00607Z MDL No:
Product Description
Catalog Number:
AG00607Z
Chemical Name:
Ethanone, 1-(4-methyl-2-phenyl-6H-1,3-thiazin-5-yl)-
CAS Number:
95482-64-7
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
IUPAC Name:
1-(4-methyl-2-phenyl-6H-1,3-thiazin-5-yl)ethanone
InChI:
InChI=1S/C13H13NOS/c1-9-12(10(2)15)8-16-13(14-9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChI Key:
UGROZQQAACMFGN-UHFFFAOYSA-N
SMILES:
CC(=O)C1=C(C)N=C(SC1)c1ccccc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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