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Home > Other Heterocycles > 1823912-39-5
1823912-39-5 | 3-[(FURAN-2-YLMETHYL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS No: 1823912-39-5 Catalog No: AG01AT9V MDL No:MFCD26793115
Product Description
Catalog Number:
AG01AT9V
Chemical Name:
3-[(FURAN-2-YLMETHYL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS Number:
1823912-39-5
Molecular Formula:
C12H18ClNOS
Molecular Weight:
259.7954
MDL Number:
MFCD26793115
IUPAC Name:
3-(furan-2-ylmethylsulfanyl)-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C12H17NOS.ClH/c1-2-11(14-5-1)8-15-12-6-9-3-4-10(7-12)13-9;/h1-2,5,9-10,12-13H,3-4,6-8H2;1H
InChI Key:
GHXGINFYLKJDDA-UHFFFAOYSA-N
SMILES:
c1coc(c1)CSC1CC2CCC(C1)N2.Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.792g/mol
Monoisotopic Mass:
259.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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