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88061-25-0 | 4H-1,3-Thiazin-4-one, 2-methyl-6-(phenylmethyl)-
CAS No: 88061-25-0 Catalog No: AG004FG4 MDL No:
Product Description
Catalog Number:
AG004FG4
Chemical Name:
4H-1,3-Thiazin-4-one, 2-methyl-6-(phenylmethyl)-
CAS Number:
88061-25-0
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
IUPAC Name:
6-benzyl-2-methyl-1,3-thiazin-4-one
InChI:
InChI=1S/C12H11NOS/c1-9-13-12(14)8-11(15-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChI Key:
OCNVXETVTCTGDQ-UHFFFAOYSA-N
SMILES:
O=c1cc(Cc2ccccc2)sc(n1)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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