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Home > Imidazoles > 874133-76-3
874133-76-3 | Cyclohexanol, 1-[1-[2-(methylthio)phenyl]-1H-imidazol-2-yl]-
CAS No: 874133-76-3 Catalog No: AG004JPE MDL No:
Product Description
Catalog Number:
AG004JPE
Chemical Name:
Cyclohexanol, 1-[1-[2-(methylthio)phenyl]-1H-imidazol-2-yl]-
CAS Number:
874133-76-3
Molecular Formula:
C16H20N2OS
Molecular Weight:
288.4078
IUPAC Name:
1-[1-(2-methylsulfanylphenyl)imidazol-2-yl]cyclohexan-1-ol
InChI:
InChI=1S/C16H20N2OS/c1-20-14-8-4-3-7-13(14)18-12-11-17-15(18)16(19)9-5-2-6-10-16/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3
InChI Key:
LZCMGNXBEIDOLI-UHFFFAOYSA-N
SMILES:
CSc1ccccc1n1ccnc1C1(O)CCCCC1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.13g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.409g/mol
Monoisotopic Mass:
288.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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