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Home > Imidazoles > 343376-22-7
343376-22-7 | 6-(benzylsulfanyl)-5-nitroimidazo[2,1-b][1,3]thiazole
CAS No: 343376-22-7 Catalog No: AG00IVFW MDL No:MFCD00138964
Product Description
Catalog Number:
AG00IVFW
Chemical Name:
6-(benzylsulfanyl)-5-nitroimidazo[2,1-b][1,3]thiazole
CAS Number:
343376-22-7
Molecular Formula:
C12H9N3O2S2
Molecular Weight:
291.3488
MDL Number:
MFCD00138964
IUPAC Name:
6-benzylsulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C12H9N3O2S2/c16-15(17)11-10(13-12-14(11)6-7-18-12)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
KLYKLGGJVVEYDK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(SCc2ccccc2)nc2n1ccs2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.014g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.343g/mol
Monoisotopic Mass:
291.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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