200,000+ products from a single source!

sales@angenechem.com

Home > Quinoline > 87447-53-8

87447-53-8

87447-53-8 | Isoquinolinium, 2-[(octylthio)methyl]-, chloride

CAS No: 87447-53-8 Catalog No: AG004KC5 MDL No:

Product Description

Catalog Number:
AG004KC5
Chemical Name:
Isoquinolinium, 2-[(octylthio)methyl]-, chloride
CAS Number:
87447-53-8
Molecular Formula:
C18H26ClNS
Molecular Weight:
323.9237
IUPAC Name:
2-(octylsulfanylmethyl)isoquinolin-2-ium;chloride
InChI:
InChI=1S/C18H26NS.ClH/c1-2-3-4-5-6-9-14-20-16-19-13-12-17-10-7-8-11-18(17)15-19;/h7-8,10-13,15H,2-6,9,14,16H2,1H3;1H/q+1;/p-1
InChI Key:
AQQGAMWDHQICMQ-UHFFFAOYSA-M
SMILES:
CCCCCCCCSC[n+]1ccc2c(c1)cccc2.[Cl-]

Properties

Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.147g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.923g/mol
Monoisotopic Mass:
323.147g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Related Products

© 2019 Angene International Limited. All rights Reserved.