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Home > Pyridines > 190125-80-5
190125-80-5 | 2-Propen-1-one, 1-[2,2'-bipyridin]-6-yl-3,3-bis(ethylthio)-
CAS No: 190125-80-5 Catalog No: AG002ECK MDL No:
Product Description
Catalog Number:
AG002ECK
Chemical Name:
2-Propen-1-one, 1-[2,2'-bipyridin]-6-yl-3,3-bis(ethylthio)-
CAS Number:
190125-80-5
Molecular Formula:
C17H18N2OS2
Molecular Weight:
330.4676
IUPAC Name:
3,3-bis(ethylsulfanyl)-1-(6-pyridin-2-ylpyridin-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C17H18N2OS2/c1-3-21-17(22-4-2)12-16(20)15-10-7-9-14(19-15)13-8-5-6-11-18-13/h5-12H,3-4H2,1-2H3
InChI Key:
JSHNKZQXMZDLTG-UHFFFAOYSA-N
SMILES:
CCSC(=CC(=O)c1cccc(n1)c1ccccn1)SCC
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.464g/mol
Monoisotopic Mass:
330.086g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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