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Home > Imidazoles > 89442-54-6
89442-54-6 | 1H-Imidazole, 1-[2-methyl-2-phenyl-1-(phenylthio)propyl]-
CAS No: 89442-54-6 Catalog No: AG00437N MDL No:
Product Description
Catalog Number:
AG00437N
Chemical Name:
1H-Imidazole, 1-[2-methyl-2-phenyl-1-(phenylthio)propyl]-
CAS Number:
89442-54-6
Molecular Formula:
C19H20N2S
Molecular Weight:
308.4405
IUPAC Name:
1-(2-methyl-2-phenyl-1-phenylsulfanylpropyl)imidazole
InChI:
InChI=1S/C19H20N2S/c1-19(2,16-9-5-3-6-10-16)18(21-14-13-20-15-21)22-17-11-7-4-8-12-17/h3-15,18H,1-2H3
InChI Key:
PQWXUDKQWABNBH-UHFFFAOYSA-N
SMILES:
CC(C(n1ccnc1)Sc1ccccc1)(c1ccccc1)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.443g/mol
Monoisotopic Mass:
308.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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