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Home > Imidazoles > 89440-24-4
89440-24-4 | Phenol, 4-[[1-(1H-imidazol-1-yl)-2-methyl-2-phenylpropyl]thio]-
CAS No: 89440-24-4 Catalog No: AG0088KK MDL No:
Product Description
Catalog Number:
AG0088KK
Chemical Name:
Phenol, 4-[[1-(1H-imidazol-1-yl)-2-methyl-2-phenylpropyl]thio]-
CAS Number:
89440-24-4
Molecular Formula:
C19H20N2OS
Molecular Weight:
324.4399
IUPAC Name:
4-(1-imidazol-1-yl-2-methyl-2-phenylpropyl)sulfanylphenol
InChI:
InChI=1S/C19H20N2OS/c1-19(2,15-6-4-3-5-7-15)18(21-13-12-20-14-21)23-17-10-8-16(22)9-11-17/h3-14,18,22H,1-2H3
InChI Key:
AEUBEMDCFFWWJA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)SC(C(c1ccccc1)(C)C)n1cncc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.442g/mol
Monoisotopic Mass:
324.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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