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Home > Imidazoles > 88854-27-7
88854-27-7 | 1H-Imidazole, 1-[[2-(4-pentynyl)cyclohexyl]thioxomethyl]-
CAS No: 88854-27-7 Catalog No: AG004BKH MDL No:
Product Description
Catalog Number:
AG004BKH
Chemical Name:
1H-Imidazole, 1-[[2-(4-pentynyl)cyclohexyl]thioxomethyl]-
CAS Number:
88854-27-7
Molecular Formula:
C15H20N2S
Molecular Weight:
260.3977
IUPAC Name:
imidazol-1-yl-(2-pent-4-ynylcyclohexyl)methanethione
InChI:
InChI=1S/C15H20N2S/c1-2-3-4-7-13-8-5-6-9-14(13)15(18)17-11-10-16-12-17/h1,10-14H,3-9H2
InChI Key:
NCRYLUUHBUBJEW-UHFFFAOYSA-N
SMILES:
C#CCCCC1CCCCC1C(=S)n1cncc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.135g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.399g/mol
Monoisotopic Mass:
260.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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