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Home > Imidazoles > 1105188-84-8
1105188-84-8 | 1-(2-METHYLPHENYL)-5-(4-METHYLPHENYL)-1H-IMIDAZOLE-2-THIOL
CAS No: 1105188-84-8 Catalog No: AG01ARX0 MDL No:MFCD11986817
Product Description
Catalog Number:
AG01ARX0
Chemical Name:
1-(2-METHYLPHENYL)-5-(4-METHYLPHENYL)-1H-IMIDAZOLE-2-THIOL
CAS Number:
1105188-84-8
Molecular Formula:
C17H16N2S
Molecular Weight:
280.3873
MDL Number:
MFCD11986817
IUPAC Name:
3-(2-methylphenyl)-4-(4-methylphenyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C17H16N2S/c1-12-7-9-14(10-8-12)16-11-18-17(20)19(16)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,18,20)
InChI Key:
MWHBYMZTSFCHQI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cnc(n1c1ccccc1C)S
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.389g/mol
Monoisotopic Mass:
280.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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