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Home > Imidazoles > 89442-60-4
89442-60-4 | 1H-Imidazole, 1-[2-methyl-1-(methylthio)-2-phenylpropyl]-
CAS No: 89442-60-4 Catalog No: AG0044JH MDL No:
Product Description
Catalog Number:
AG0044JH
Chemical Name:
1H-Imidazole, 1-[2-methyl-1-(methylthio)-2-phenylpropyl]-
CAS Number:
89442-60-4
Molecular Formula:
C14H18N2S
Molecular Weight:
246.3711
IUPAC Name:
1-(2-methyl-1-methylsulfanyl-2-phenylpropyl)imidazole
InChI:
InChI=1S/C14H18N2S/c1-14(2,12-7-5-4-6-8-12)13(17-3)16-10-9-15-11-16/h4-11,13H,1-3H3
InChI Key:
VSVJLSFCYMPVPW-UHFFFAOYSA-N
SMILES:
CSC(C(c1ccccc1)(C)C)n1cncc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.372g/mol
Monoisotopic Mass:
246.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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