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112408-19-2 | Thiazolo[3,2-b][1,2,4]triazol-6-ol, 5,6-dihydro-2-phenyl-
CAS No: 112408-19-2 Catalog No: AG0082NL MDL No:
Product Description
Catalog Number:
AG0082NL
Chemical Name:
Thiazolo[3,2-b][1,2,4]triazol-6-ol, 5,6-dihydro-2-phenyl-
CAS Number:
112408-19-2
Molecular Formula:
C10H9N3OS
Molecular Weight:
219.2630
IUPAC Name:
2-phenyl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
InChI:
InChI=1S/C10H9N3OS/c14-8-6-15-10-11-9(12-13(8)10)7-4-2-1-3-5-7/h1-5,8,14H,6H2
InChI Key:
LIZOQRPERAVSJQ-UHFFFAOYSA-N
SMILES:
OC1CSc2n1nc(n2)c1ccccc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.262g/mol
Monoisotopic Mass:
219.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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