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Home > Pyridines > 649774-44-7
649774-44-7 | Pyridine, 2-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-4-methyl-
CAS No: 649774-44-7 Catalog No: AG00H6PH MDL No:
Product Description
Catalog Number:
AG00H6PH
Chemical Name:
Pyridine, 2-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-4-methyl-
CAS Number:
649774-44-7
Molecular Formula:
C12H9NS4
Molecular Weight:
295.4666
IUPAC Name:
2-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-4-methylpyridine
InChI:
InChI=1S/C12H9NS4/c1-8-2-3-13-9(6-8)10-7-16-12(17-10)11-14-4-5-15-11/h2-7H,1H3
InChI Key:
UGBRTBVRTNLHNO-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)C1=CSC(=C2SC=CS2)S1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.962g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.451g/mol
Monoisotopic Mass:
294.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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