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Home > Pyridines > 1823336-46-4
1823336-46-4 | 3-(PYRIDIN-2-YLSULFANYL)-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS No: 1823336-46-4 Catalog No: AG01AT0P MDL No:MFCD26793128
Product Description
Catalog Number:
AG01AT0P
Chemical Name:
3-(PYRIDIN-2-YLSULFANYL)-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS Number:
1823336-46-4
Molecular Formula:
C12H17ClN2S
Molecular Weight:
256.7948
MDL Number:
MFCD26793128
IUPAC Name:
3-pyridin-2-ylsulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C12H16N2S.ClH/c1-2-6-13-12(3-1)15-11-7-9-4-5-10(8-11)14-9;/h1-3,6,9-11,14H,4-5,7-8H2;1H
InChI Key:
WDRNMWFZMHOZBP-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)SC1CC2CCC(C1)N2.Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.792g/mol
Monoisotopic Mass:
256.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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