200,000+ products from a single source!
sales@angenechem.com
87445-02-1 | 1-(2,2-Dimethylpropyl)-2,4-diphenyl-5H,6H-benzo[h]quinolin-1-ium thiocyanate
CAS No: 87445-02-1 Catalog No: AG01EY1P MDL No:
Product Description
Catalog Number:
AG01EY1P
Chemical Name:
1-(2,2-Dimethylpropyl)-2,4-diphenyl-5H,6H-benzo[h]quinolin-1-ium thiocyanate
CAS Number:
87445-02-1
Molecular Formula:
C31H30N2S
Molecular Weight:
462.6483
IUPAC Name:
1-(2,2-dimethylpropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium;thiocyanate
InChI:
InChI=1S/C30H30N.CHNS/c1-30(2,3)21-31-28(24-15-8-5-9-16-24)20-27(22-12-6-4-7-13-22)26-19-18-23-14-10-11-17-25(23)29(26)31;2-1-3/h4-17,20H,18-19,21H2,1-3H3;3H/q+1;/p-1
InChI Key:
HNPFPGKUZDUPCT-UHFFFAOYSA-M
SMILES:
CC(C[n+]1c(cc(c2c1c1ccccc1CC2)c1ccccc1)c1ccccc1)(C)C.[S-]C#N
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.213g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.655g/mol
Monoisotopic Mass:
462.213g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.