200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116221-12-6
116221-12-6 | 1,2-Benzenedicarbonitrile, 4-(pentylthio)-
CAS No: 116221-12-6 Catalog No: AG000BYH MDL No:
Product Description
Catalog Number:
AG000BYH
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(pentylthio)-
CAS Number:
116221-12-6
Molecular Formula:
C13H14N2S
Molecular Weight:
230.3287
IUPAC Name:
4-pentylsulfanylbenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C13H14N2S/c1-2-3-4-7-16-13-6-5-11(9-14)12(8-13)10-15/h5-6,8H,2-4,7H2,1H3
InChI Key:
CSOPBFATTASUJR-UHFFFAOYSA-N
SMILES:
CCCCCSc1ccc(c(c1)C#N)C#N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.329g/mol
Monoisotopic Mass:
230.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.