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Home > Pyridines > 1417793-16-8
1417793-16-8 | Pyridine, 2-[(4-piperidinylthio)methyl]-, hydrochloride (1:1)
CAS No: 1417793-16-8 Catalog No: AG001H3C MDL No:MFCD22631674
Product Description
Catalog Number:
AG001H3C
Chemical Name:
Pyridine, 2-[(4-piperidinylthio)methyl]-, hydrochloride (1:1)
CAS Number:
1417793-16-8
Molecular Formula:
C11H17ClN2S
Molecular Weight:
244.7841
MDL Number:
MFCD22631674
IUPAC Name:
2-(piperidin-4-ylsulfanylmethyl)pyridine;hydrochloride
InChI:
InChI=1S/C11H16N2S.ClH/c1-2-6-13-10(3-1)9-14-11-4-7-12-8-5-11;/h1-3,6,11-12H,4-5,7-9H2;1H
InChI Key:
AZOCNHNMCSARJA-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)SCc1ccccn1.Cl
Properties
Complexity:
157
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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