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126750-55-8 | 2,3-Naphthalenedicarbonitrile, 6,7-bis(phenylthio)-
CAS No: 126750-55-8 Catalog No: AG000T7C MDL No:
Product Description
Catalog Number:
AG000T7C
Chemical Name:
2,3-Naphthalenedicarbonitrile, 6,7-bis(phenylthio)-
CAS Number:
126750-55-8
Molecular Formula:
C24H14N2S2
Molecular Weight:
394.5114
IUPAC Name:
6,7-bis(phenylsulfanyl)naphthalene-2,3-dicarbonitrile
InChI:
InChI=1S/C24H14N2S2/c25-15-19-11-17-13-23(27-21-7-3-1-4-8-21)24(14-18(17)12-20(19)16-26)28-22-9-5-2-6-10-22/h1-14H
InChI Key:
FSEHUQMJWYTNRB-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cc(Sc3ccccc3)c(cc2cc1C#N)Sc1ccccc1
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.06g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.51g/mol
Monoisotopic Mass:
394.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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