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71897-63-7 | Pyridine,2-[(phenylthio)methyl]-
CAS No: 71897-63-7 Catalog No: AG005F09 MDL No:
Product Description
Catalog Number:
AG005F09
Chemical Name:
Pyridine,2-[(phenylthio)methyl]-
CAS Number:
71897-63-7
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
IUPAC Name:
2-(phenylsulfanylmethyl)pyridine
InChI:
InChI=1S/C12H11NS/c1-2-7-12(8-3-1)14-10-11-6-4-5-9-13-11/h1-9H,10H2
InChI Key:
OZURYZAHRAPLJF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SCc1ccccn1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Substitution reactions between bis-chelate ligands in palladium(II) alkenyl complexes: an unusual way to form unstable trans-P complexes. A study on the isomerization mechanism. | Dalton transactions (Cambridge, England : 2003) 20091121 |
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