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Home > Pyridines > 265998-72-9
265998-72-9 | Pyridine, 4-[(1E)-2-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]ethenyl]-
CAS No: 265998-72-9 Catalog No: AG002TU2 MDL No:
Product Description
Catalog Number:
AG002TU2
Chemical Name:
Pyridine, 4-[(1E)-2-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]ethenyl]-
CAS Number:
265998-72-9
Molecular Formula:
C13H9NS4
Molecular Weight:
307.4773
IUPAC Name:
4-[2-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]ethenyl]pyridine
InChI:
InChI=1S/C13H9NS4/c1(10-3-5-14-6-4-10)2-11-9-17-13(18-11)12-15-7-8-16-12/h1-9H
InChI Key:
VACOANJCGOKJFZ-UHFFFAOYSA-N
SMILES:
C1=CSC(=C2SC=C(S2)/C=C/c2ccncc2)S1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.962g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.462g/mol
Monoisotopic Mass:
306.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| 4-(2-Tetrathiafulvalenyl-ethenyl)pyridine (TTF-CH=CH-Py) radical cation salts containing poly(beta-diketonate) rare earth complexes: synthesis, crystal structure, photoluminescent and magnetic properties. | Inorganic chemistry 20090803 |
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