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156903-56-9 | 1,2-Benzenedicarbonitrile, 4,5-bis(hexylthio)-
CAS No: 156903-56-9 Catalog No: AG001P3H MDL No:
Product Description
Catalog Number:
AG001P3H
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-bis(hexylthio)-
CAS Number:
156903-56-9
Molecular Formula:
C20H28N2S2
Molecular Weight:
360.5797
IUPAC Name:
4,5-bis(hexylsulfanyl)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C20H28N2S2/c1-3-5-7-9-11-23-19-13-17(15-21)18(16-22)14-20(19)24-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key:
BBDKVVMJQKBNKU-UHFFFAOYSA-N
SMILES:
CCCCCCSc1cc(C#N)c(cc1SCCCCCC)C#N
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.578g/mol
Monoisotopic Mass:
360.169g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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