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Home > Imidazoles > 88854-21-1
88854-21-1 | 1H-Imidazole, 1-[2-(2-phenylethyl)-1-thioxo-6-dodecynyl]-
CAS No: 88854-21-1 Catalog No: AG008AOR MDL No:
Product Description
Catalog Number:
AG008AOR
Chemical Name:
1H-Imidazole, 1-[2-(2-phenylethyl)-1-thioxo-6-dodecynyl]-
CAS Number:
88854-21-1
Molecular Formula:
C23H30N2S
Molecular Weight:
366.5627
IUPAC Name:
1-imidazol-1-yl-2-(2-phenylethyl)dodec-6-yne-1-thione
InChI:
InChI=1S/C23H30N2S/c1-2-3-4-5-6-7-8-12-15-22(23(26)25-19-18-24-20-25)17-16-21-13-10-9-11-14-21/h9-11,13-14,18-20,22H,2-5,8,12,15-17H2,1H3
InChI Key:
GFPQPCZJBCKUAA-UHFFFAOYSA-N
SMILES:
CCCCCC#CCCCC(C(=S)n1cncc1)CCc1ccccc1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.213g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.567g/mol
Monoisotopic Mass:
366.213g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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