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116319-03-0 | 6H-1,3-Thiazin-6-one, 5-ethyl-4-hydroxy-2-phenyl-
CAS No: 116319-03-0 Catalog No: AG000C6K MDL No:
Product Description
Catalog Number:
AG000C6K
Chemical Name:
6H-1,3-Thiazin-6-one, 5-ethyl-4-hydroxy-2-phenyl-
CAS Number:
116319-03-0
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
5-ethyl-4-hydroxy-2-phenyl-1,3-thiazin-6-one
InChI:
InChI=1S/C12H11NO2S/c1-2-9-10(14)13-11(16-12(9)15)8-6-4-3-5-7-8/h3-7,14H,2H2,1H3
InChI Key:
QVUJNTUNFHKOPC-UHFFFAOYSA-N
SMILES:
CCc1c(O)nc(sc1=O)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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