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1105190-54-2 | 5-(4-Methoxyphenyl)-1-(4-methylphenyl)-1,3-dihydro-2H-imidazole-2-thione
CAS No: 1105190-54-2 Catalog No: AG01AQOP MDL No:MFCD16653453
Product Description
Catalog Number:
AG01AQOP
Chemical Name:
5-(4-Methoxyphenyl)-1-(4-methylphenyl)-1,3-dihydro-2H-imidazole-2-thione
CAS Number:
1105190-54-2
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
MDL Number:
MFCD16653453
IUPAC Name:
4-(4-methoxyphenyl)-3-(4-methylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C17H16N2OS/c1-12-3-7-14(8-4-12)19-16(11-18-17(19)21)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3,(H,18,21)
InChI Key:
BTWDJKORWDAOGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(n1c1ccc(cc1)C)S
NSC Number:
730530
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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