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Home > Pyridines > 1210868-05-5
1210868-05-5 | 3-Methyl-5-[(phenylmethyl)thio]pyridine
CAS No: 1210868-05-5 Catalog No: AG00ILZL MDL No:
Product Description
Catalog Number:
AG00ILZL
Chemical Name:
3-Methyl-5-[(phenylmethyl)thio]pyridine
CAS Number:
1210868-05-5
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
IUPAC Name:
3-benzylsulfanyl-5-methylpyridine
InChI:
InChI=1S/C13H13NS/c1-11-7-13(9-14-8-11)15-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChI Key:
GIMRYRAGANEDSE-UHFFFAOYSA-N
SMILES:
Cc1cncc(c1)SCc1ccccc1
Properties
Complexity:
177
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:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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