Bis[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]butanedinitrile 867152-68-9 wiki

1.1 Name: Bis[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]butanedinitrile

1.2 Synonyms: 2,3-bis(4,5-dimethylthio-1,3-dithiole-2-ylidene)succinonitrile; 2,3-Bis[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]butanedinitrile; 4,5-dimethylthio-4',5'-dicyanotetrathiafulvalene; Butanedinitrile, bis[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-; Butanedinitrile,bis[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]; CTK3C6702; DTXSID60833270;

1.6 Inchi: InChI=1S/C14H12N2S8/c1-17-11-12(18-2)22-9(21-11)7(5-15)8(6-16)10-23-13(19-3)14(20-4)24-10/h1-4H3

49638-64-4 11 Suppliers

934-31-6 13 Suppliers

867152-68-9

3. Precursor and Product

precursor:

934-31-6

49638-64-4

4. Computed Properties

Molecular Weight：464.8g/mol
Molecular Formula：C₁₄H₁₂N₂S₈
Compound Is Canonicalized：True
Exact Mass：5.1
XLogP3-AA：463.8766178
Monoisotopic Mass：463.8766178
Complexity：669
Rotatable Bond Count：5
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：10
Topological Polar Surface Area：250
Heavy Atom Count：：24
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzAAB4AAAAAAAAAAAAAAAAAQIAAAAAAAAAAAAAAAAAAAAAHAQAAAAADAABQACCAAAAAAiQBgBAAAAgAQAgAAAAAAAAAAgIgAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation