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Home > Imidazoles > 160461-96-1
160461-96-1 | 1H-Imidazole, 1-[[4-(3-thienyl)phenyl]methyl]-
CAS No: 160461-96-1 Catalog No: AG001RY1 MDL No:
Product Description
Catalog Number:
AG001RY1
Chemical Name:
1H-Imidazole, 1-[[4-(3-thienyl)phenyl]methyl]-
CAS Number:
160461-96-1
Molecular Formula:
C14H12N2S
Molecular Weight:
240.3235
IUPAC Name:
1-[(4-thiophen-3-ylphenyl)methyl]imidazole
InChI:
InChI=1S/C14H12N2S/c1-3-13(14-5-8-17-10-14)4-2-12(1)9-16-7-6-15-11-16/h1-8,10-11H,9H2
InChI Key:
PRPFZUVPVMWBBA-UHFFFAOYSA-N
SMILES:
c1scc(c1)c1ccc(cc1)Cn1cncc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.324g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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