200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 113744-13-1
113744-13-1 | Pyridine, 5-hexyl-2-(4-isothiocyanatophenyl)-
CAS No: 113744-13-1 Catalog No: AG0009JE MDL No:
Product Description
Catalog Number:
AG0009JE
Chemical Name:
Pyridine, 5-hexyl-2-(4-isothiocyanatophenyl)-
CAS Number:
113744-13-1
Molecular Formula:
C18H20N2S
Molecular Weight:
296.4298
IUPAC Name:
5-hexyl-2-(4-isothiocyanatophenyl)pyridine
InChI:
InChI=1S/C18H20N2S/c1-2-3-4-5-6-15-7-12-18(19-13-15)16-8-10-17(11-9-16)20-14-21/h7-13H,2-6H2,1H3
InChI Key:
KZCUFAUAJWORSU-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(nc1)c1ccc(cc1)N=C=S
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.432g/mol
Monoisotopic Mass:
296.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.