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1105189-45-4 | 5-(3-Nitrophenyl)-1-phenyl-1H-imidazole-2-thiol
CAS No: 1105189-45-4 Catalog No: AG01ARN9 MDL No:MFCD11986831
Product Description
Catalog Number:
AG01ARN9
Chemical Name:
5-(3-Nitrophenyl)-1-phenyl-1H-imidazole-2-thiol
CAS Number:
1105189-45-4
Molecular Formula:
C15H11N3O2S
Molecular Weight:
297.3317
MDL Number:
MFCD11986831
IUPAC Name:
4-(3-nitrophenyl)-3-phenyl-1H-imidazole-2-thione
InChI:
InChI=1S/C15H11N3O2S/c19-18(20)13-8-4-5-11(9-13)14-10-16-15(21)17(14)12-6-2-1-3-7-12/h1-10H,(H,16,21)
InChI Key:
KSKLQAFDGLPGOW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cnc(n1c1ccccc1)S
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.332g/mol
Monoisotopic Mass:
297.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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