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88152-53-8 | 4H-1,3-Thiazin-4-one, 2,3-dihydro-6-methyl-2-(phenylmethyl)-
CAS No: 88152-53-8 Catalog No: AG008BWM MDL No:
Product Description
Catalog Number:
AG008BWM
Chemical Name:
4H-1,3-Thiazin-4-one, 2,3-dihydro-6-methyl-2-(phenylmethyl)-
CAS Number:
88152-53-8
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
IUPAC Name:
2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one
InChI:
InChI=1S/C12H13NOS/c1-9-7-11(14)13-12(15-9)8-10-5-3-2-4-6-10/h2-7,12H,8H2,1H3,(H,13,14)
InChI Key:
ITNLCTBUDUYMLB-UHFFFAOYSA-N
SMILES:
O=C1NC(SC(=C1)C)Cc1ccccc1
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:
2
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:
2.6
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