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89568-80-9 | Pyridine, 4-(2-phenyl-1,3-dithian-2-yl)-
CAS No: 89568-80-9 Catalog No: AG003XY7 MDL No:
Product Description
Catalog Number:
AG003XY7
Chemical Name:
Pyridine, 4-(2-phenyl-1,3-dithian-2-yl)-
CAS Number:
89568-80-9
Molecular Formula:
C15H15NS2
Molecular Weight:
273.4163
IUPAC Name:
4-(2-phenyl-1,3-dithian-2-yl)pyridine
InChI:
InChI=1S/C15H15NS2/c1-2-5-13(6-3-1)15(17-11-4-12-18-15)14-7-9-16-10-8-14/h1-3,5-10H,4,11-12H2
InChI Key:
GIGMEGMMYVAXBF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(SCCCS1)c1ccncc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.412g/mol
Monoisotopic Mass:
273.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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