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Home > Imidazoles > 88854-29-9
88854-29-9 | 1H-Imidazole, 1-[2-butyl-3-(2-cyanoethyl)-1-thioxohexyl]-
CAS No: 88854-29-9 Catalog No: AG004A4Y MDL No:
Product Description
Catalog Number:
AG004A4Y
Chemical Name:
1H-Imidazole, 1-[2-butyl-3-(2-cyanoethyl)-1-thioxohexyl]-
CAS Number:
88854-29-9
Molecular Formula:
C16H25N3S
Molecular Weight:
291.4548
IUPAC Name:
5-(imidazole-1-carbothioyl)-4-propylnonanenitrile
InChI:
InChI=1S/C16H25N3S/c1-3-5-9-15(14(7-4-2)8-6-10-17)16(20)19-12-11-18-13-19/h11-15H,3-9H2,1-2H3
InChI Key:
NUVNTTNPJKFCJP-UHFFFAOYSA-N
SMILES:
CCCCC(C(=S)n1ccnc1)C(CCC#N)CCC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.177g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.457g/mol
Monoisotopic Mass:
291.177g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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