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Home > Imidazoles > 794554-71-5
794554-71-5 | 1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1H-imidazole-2-thiol
CAS No: 794554-71-5 Catalog No: AG019NPO MDL No:MFCD06366738
Product Description
Catalog Number:
AG019NPO
Chemical Name:
1-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1H-imidazole-2-thiol
CAS Number:
794554-71-5
Molecular Formula:
C18H18N2OS
Molecular Weight:
310.4133
MDL Number:
MFCD06366738
IUPAC Name:
3-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C18H18N2OS/c1-12-4-9-16(13(2)10-12)20-17(11-19-18(20)22)14-5-7-15(21-3)8-6-14/h4-11H,1-3H3,(H,19,22)
InChI Key:
ZUSHQPXSCOOAAK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(n1c1ccc(cc1C)C)S
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.415g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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