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Home > Imidazoles > 97814-14-7
97814-14-7 | 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol
CAS No: 97814-14-7 Catalog No: AG00IZZ0 MDL No:MFCD00170410
Product Description
Catalog Number:
AG00IZZ0
Chemical Name:
1-(4-methoxyphenyl)-4-(4-nitrophenyl)-1H-imidazole-2-thiol
CAS Number:
97814-14-7
Molecular Formula:
C16H13N3O3S
Molecular Weight:
327.3577
MDL Number:
MFCD00170410
IUPAC Name:
3-(4-methoxyphenyl)-5-(4-nitrophenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C16H13N3O3S/c1-22-14-8-6-12(7-9-14)18-10-15(17-16(18)23)11-2-4-13(5-3-11)19(20)21/h2-10H,1H3,(H,17,23)
InChI Key:
NXPXVUQAIWHHGN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1cc(nc1S)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.358g/mol
Monoisotopic Mass:
327.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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