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Home > Imidazoles > 96439-68-8
96439-68-8 | Imidazo[2,1-b]thiazole, 2,3-dihydro-6-phenyl-, 1-oxide
CAS No: 96439-68-8 Catalog No: AG006QRS MDL No:
Product Description
Catalog Number:
AG006QRS
Chemical Name:
Imidazo[2,1-b]thiazole, 2,3-dihydro-6-phenyl-, 1-oxide
CAS Number:
96439-68-8
Molecular Formula:
C11H10N2OS
Molecular Weight:
218.2749
IUPAC Name:
6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole 1-oxide
InChI:
InChI=1S/C11H10N2OS/c14-15-7-6-13-8-10(12-11(13)15)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChI Key:
DLDRYHQNSDASIG-UHFFFAOYSA-N
SMILES:
O=S1CCn2c1nc(c2)c1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.274g/mol
Monoisotopic Mass:
218.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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