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89025-53-6 | Pyridine, 2-(pentadecylthio)-
CAS No: 89025-53-6 Catalog No: AG0044C3 MDL No:
Product Description
Catalog Number:
AG0044C3
Chemical Name:
Pyridine, 2-(pentadecylthio)-
CAS Number:
89025-53-6
Molecular Formula:
C20H35NS
Molecular Weight:
321.5636
IUPAC Name:
2-pentadecylsulfanylpyridine
InChI:
InChI=1S/C20H35NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-20-17-14-15-18-21-20/h14-15,17-18H,2-13,16,19H2,1H3
InChI Key:
BWJZASDGQMRIKL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCSc1ccccn1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.249g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.567g/mol
Monoisotopic Mass:
321.249g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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