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88594-63-2 | Pyridine, 3-[[(4-methylphenyl)thio]methyl]-
CAS No: 88594-63-2 Catalog No: AG004BLZ MDL No:
Product Description
Catalog Number:
AG004BLZ
Chemical Name:
Pyridine, 3-[[(4-methylphenyl)thio]methyl]-
CAS Number:
88594-63-2
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
IUPAC Name:
3-[(4-methylphenyl)sulfanylmethyl]pyridine
InChI:
InChI=1S/C13H13NS/c1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12/h2-9H,10H2,1H3
InChI Key:
OOAIKIZQXZBEAF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SCc1cccnc1
Properties
Complexity:
175
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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