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Home > Imidazoles > 88854-32-4
88854-32-4 | 1H-Imidazole, 1-[3-(2-cyanoethyl)-2-propyl-1-thioxohexyl]-
CAS No: 88854-32-4 Catalog No: AG008AON MDL No:
Product Description
Catalog Number:
AG008AON
Chemical Name:
1H-Imidazole, 1-[3-(2-cyanoethyl)-2-propyl-1-thioxohexyl]-
CAS Number:
88854-32-4
Molecular Formula:
C15H23N3S
Molecular Weight:
277.4282
IUPAC Name:
5-(imidazole-1-carbothioyl)-4-propyloctanenitrile
InChI:
InChI=1S/C15H23N3S/c1-3-6-13(8-5-9-16)14(7-4-2)15(19)18-11-10-17-12-18/h10-14H,3-8H2,1-2H3
InChI Key:
DODNOBSGJPZHLA-UHFFFAOYSA-N
SMILES:
N#CCCC(C(C(=S)n1ccnc1)CCC)CCC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.161g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.43g/mol
Monoisotopic Mass:
277.161g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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