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Home > Imidazoles > 851175-86-5
851175-86-5 | 5-phenyl-1-[4-(propan-2-yl)phenyl]-1H-imidazole-2-thiol
CAS No: 851175-86-5 Catalog No: AG019NSS MDL No:MFCD06373458
Product Description
Catalog Number:
AG019NSS
Chemical Name:
5-phenyl-1-[4-(propan-2-yl)phenyl]-1H-imidazole-2-thiol
CAS Number:
851175-86-5
Molecular Formula:
C18H18N2S
Molecular Weight:
294.4139
MDL Number:
MFCD06373458
IUPAC Name:
4-phenyl-3-(4-propan-2-ylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C18H18N2S/c1-13(2)14-8-10-16(11-9-14)20-17(12-19-18(20)21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,19,21)
InChI Key:
ZHFNZFKURMDVCR-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)n1c(S)ncc1c1ccccc1)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.416g/mol
Monoisotopic Mass:
294.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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