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Home > Pyridines > 157770-26-8
157770-26-8 | Pyridine, 2-[[2-(2-pyridinyl)ethyl]thio]-
CAS No: 157770-26-8 Catalog No: AG001PP8 MDL No:
Product Description
Catalog Number:
AG001PP8
Chemical Name:
Pyridine, 2-[[2-(2-pyridinyl)ethyl]thio]-
CAS Number:
157770-26-8
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
IUPAC Name:
2-(2-pyridin-2-ylethylsulfanyl)pyridine
InChI:
InChI=1S/C12H12N2S/c1-3-8-13-11(5-1)7-10-15-12-6-2-4-9-14-12/h1-6,8-9H,7,10H2
InChI Key:
MCRPVQAVWZQTGO-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)CCSc1ccccn1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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