4-[(4-cyanophenyl)disulfanyl]benzonitrile - CAS 6339-51-1
Catalog: |
BB073079 |
Product Name: |
4-[(4-cyanophenyl)disulfanyl]benzonitrile |
CAS: |
6339-51-1 |
Synonyms: |
4,4'-disulfanediyldibenzonitrile; Benzonitrile, 4,4'-dithiobis-; 4-[(4-cyanophenyl)disulfanyl]benzonitrile; bis(4-cyanophenyl) disulfide; 4-((4-cyanophenyl)disulfanyl)benzonitrile |
IUPAC Name: | 4-[(4-cyanophenyl)disulfanyl]benzonitrile |
Description: | 4-[(4-cyanophenyl)disulfanyl]benzonitrile |
Molecular Weight: | 268.36 |
Molecular Formula: | C14H8N2S2 |
Canonical SMILES: | C1=CC(=CC=C1C#N)SSC2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C14H8N2S2/c15-9-11-1-5-13(6-2-11)17-18-14-7-3-12(10-16)4-8-14/h1-8H |
InChI Key: | BCUVQZBVGSXWCG-UHFFFAOYSA-N |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.01289061 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.01289061 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 98.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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