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88743-58-2 | 7H-[1,2,4]Triazolo[5,1-b][1,3]thiazin-7-one, 5,6-dihydro-2-phenyl-
CAS No: 88743-58-2 Catalog No: AG008BR2 MDL No:
Product Description
Catalog Number:
AG008BR2
Chemical Name:
7H-[1,2,4]Triazolo[5,1-b][1,3]thiazin-7-one, 5,6-dihydro-2-phenyl-
CAS Number:
88743-58-2
Molecular Formula:
C11H9N3OS
Molecular Weight:
231.2737
IUPAC Name:
2-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
InChI:
InChI=1S/C11H9N3OS/c15-9-6-7-16-11-12-10(13-14(9)11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
NCQQFXVJKLSIGV-UHFFFAOYSA-N
SMILES:
O=C1CCSc2n1nc(n2)c1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.273g/mol
Monoisotopic Mass:
231.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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