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88743-57-1 | Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-methyl-2-phenyl-
CAS No: 88743-57-1 Catalog No: AG004E11 MDL No:
Product Description
Catalog Number:
AG004E11
Chemical Name:
Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-methyl-2-phenyl-
CAS Number:
88743-57-1
Molecular Formula:
C11H9N3OS
Molecular Weight:
231.2737
IUPAC Name:
5-methyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
InChI:
InChI=1S/C11H9N3OS/c1-7-10(15)14-11(16-7)12-9(13-14)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
ABADOUHEAZIJOC-UHFFFAOYSA-N
SMILES:
CC1Sc2n(C1=O)nc(n2)c1ccccc1
Properties
Complexity:
293
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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