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88136-76-9 | 4H-1,3-Thiazin-4-one, 6-ethyl-2-phenyl-
CAS No: 88136-76-9 Catalog No: AG004HSC MDL No:
Product Description
Catalog Number:
AG004HSC
Chemical Name:
4H-1,3-Thiazin-4-one, 6-ethyl-2-phenyl-
CAS Number:
88136-76-9
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
IUPAC Name:
6-ethyl-2-phenyl-1,3-thiazin-4-one
InChI:
InChI=1S/C12H11NOS/c1-2-10-8-11(14)13-12(15-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
QDBIUBAAMKTTQS-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)nc(s1)c1ccccc1
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:
2.9
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