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Home > Imidazoles > 1105189-41-0
1105189-41-0 | 1-(4-Methylphenyl)-5-(3-nitrophenyl)-1H-imidazole-2-thiol
CAS No: 1105189-41-0 Catalog No: AG018GPT MDL No:MFCD16653089
Product Description
Catalog Number:
AG018GPT
Chemical Name:
1-(4-Methylphenyl)-5-(3-nitrophenyl)-1H-imidazole-2-thiol
CAS Number:
1105189-41-0
Molecular Formula:
C16H13N3O2S
Molecular Weight:
311.3583
MDL Number:
MFCD16653089
IUPAC Name:
3-(4-methylphenyl)-4-(3-nitrophenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C16H13N3O2S/c1-11-5-7-13(8-6-11)18-15(10-17-16(18)22)12-3-2-4-14(9-12)19(20)21/h2-10H,1H3,(H,17,22)
InChI Key:
TZQJHHAERQJUDV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(S)ncc1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.359g/mol
Monoisotopic Mass:
311.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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