200,000+ products from a single source!

sales@angenechem.com

Home > Imidazoles > 88854-24-4

88854-24-4

88854-24-4 | 1H-Imidazole, 1-[[2-(5-phenyl-4-pentynyl)cyclohexyl]thioxomethyl]-

CAS No: 88854-24-4 Catalog No: AG008AOP MDL No:

Product Description

Catalog Number:
AG008AOP
Chemical Name:
1H-Imidazole, 1-[[2-(5-phenyl-4-pentynyl)cyclohexyl]thioxomethyl]-
CAS Number:
88854-24-4
Molecular Formula:
C21H24N2S
Molecular Weight:
336.4937
IUPAC Name:
imidazol-1-yl-[2-(5-phenylpent-4-ynyl)cyclohexyl]methanethione
InChI:
InChI=1S/C21H24N2S/c24-21(23-16-15-22-17-23)20-14-8-7-13-19(20)12-6-2-5-11-18-9-3-1-4-10-18/h1,3-4,9-10,15-17,19-20H,2,6-8,12-14H2
InChI Key:
KGAGNFWMDUWVFH-UHFFFAOYSA-N
SMILES:
S=C(C1CCCCC1CCCC#Cc1ccccc1)n1cncc1

Properties

Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.166g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.497g/mol
Monoisotopic Mass:
336.166g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  

Related Products

© 2019 Angene International Limited. All rights Reserved.