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Home > Pyridines > 102207-55-6
102207-55-6 | Pyridine, 3-[[(phenylmethyl)thio]methyl]-
CAS No: 102207-55-6 Catalog No: AG0006XL MDL No:
Product Description
Catalog Number:
AG0006XL
Chemical Name:
Pyridine, 3-[[(phenylmethyl)thio]methyl]-
CAS Number:
102207-55-6
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
IUPAC Name:
3-(benzylsulfanylmethyl)pyridine
InChI:
InChI=1S/C13H13NS/c1-2-5-12(6-3-1)10-15-11-13-7-4-8-14-9-13/h1-9H,10-11H2
InChI Key:
GOSLSLYNKCYNDL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSCc1cccnc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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