200,000+ products from a single source!

sales@angenechem.com

Home > Pyridines > 96985-43-2

96985-43-2

96985-43-2 | Di-[2-(4-pyridyl)ethyl]sulfide

CAS No: 96985-43-2 Catalog No: AG01E95D MDL No:

Product Description

Catalog Number:
AG01E95D
Chemical Name:
Di-[2-(4-pyridyl)ethyl]sulfide
CAS Number:
96985-43-2
Molecular Formula:
C14H16N2S
Molecular Weight:
244.3552
IUPAC Name:
4-[2-(2-pyridin-4-ylethylsulfanyl)ethyl]pyridine
InChI:
InChI=1S/C14H16N2S/c1-7-15-8-2-13(1)5-11-17-12-6-14-3-9-16-10-4-14/h1-4,7-10H,5-6,11-12H2
InChI Key:
HMVWDRBTNXIJIX-UHFFFAOYSA-N
SMILES:
S(CCc1ccncc1)CCc1ccncc1

Properties

Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.356g/mol
Monoisotopic Mass:
244.103g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

© 2019 Angene International Limited. All rights Reserved.