200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 123389-34-4
123389-34-4 | 2,3-Naphthalenedicarbonitrile, 6-(hexylthio)-
CAS No: 123389-34-4 Catalog No: AG000KHN MDL No:
Product Description
Catalog Number:
AG000KHN
Chemical Name:
2,3-Naphthalenedicarbonitrile, 6-(hexylthio)-
CAS Number:
123389-34-4
Molecular Formula:
C18H18N2S
Molecular Weight:
294.4139
IUPAC Name:
6-hexylsulfanylnaphthalene-2,3-dicarbonitrile
InChI:
InChI=1S/C18H18N2S/c1-2-3-4-5-8-21-18-7-6-14-9-16(12-19)17(13-20)10-15(14)11-18/h6-7,9-11H,2-5,8H2,1H3
InChI Key:
PPFRFGILXGPJDE-UHFFFAOYSA-N
SMILES:
CCCCCCSc1ccc2c(c1)cc(c(c2)C#N)C#N
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.416g/mol
Monoisotopic Mass:
294.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.