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Home > Imidazoles > 88854-36-8
88854-36-8 | 1H-Imidazole, 1-[[2-(2-cyanoethyl)cycloheptyl]thioxomethyl]-
CAS No: 88854-36-8 Catalog No: AG004BKF MDL No:
Product Description
Catalog Number:
AG004BKF
Chemical Name:
1H-Imidazole, 1-[[2-(2-cyanoethyl)cycloheptyl]thioxomethyl]-
CAS Number:
88854-36-8
Molecular Formula:
C14H19N3S
Molecular Weight:
261.3858
IUPAC Name:
3-[2-(imidazole-1-carbothioyl)cycloheptyl]propanenitrile
InChI:
InChI=1S/C14H19N3S/c15-8-4-6-12-5-2-1-3-7-13(12)14(18)17-10-9-16-11-17/h9-13H,1-7H2
InChI Key:
CSHASPAMPXNGHX-UHFFFAOYSA-N
SMILES:
N#CCCC1CCCCCC1C(=S)n1cncc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.13g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.387g/mol
Monoisotopic Mass:
261.13g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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