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Home > Pyridines > 1417793-98-6
1417793-98-6 | Pyridine, 4-[(4-piperidinylmethyl)thio]-, hydrochloride (1:1)
CAS No: 1417793-98-6 Catalog No: AG001H4F MDL No:
Product Description
Catalog Number:
AG001H4F
Chemical Name:
Pyridine, 4-[(4-piperidinylmethyl)thio]-, hydrochloride (1:1)
CAS Number:
1417793-98-6
Molecular Formula:
C11H17ClN2S
Molecular Weight:
244.7841
IUPAC Name:
4-(piperidin-4-ylmethylsulfanyl)pyridine;hydrochloride
InChI:
InChI=1S/C11H16N2S.ClH/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11;/h3-4,7-8,10,12H,1-2,5-6,9H2;1H
InChI Key:
VKYLPTDGASKAFQ-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)CSc1ccncc1.Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.781g/mol
Monoisotopic Mass:
244.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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