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Home > Other Heterocycles > 124751-36-6
124751-36-6 | Spiro[1-azabicyclo[2.2.2]octane-3,5'-[1,3]oxathiolane], 2'-methyl-, 3'-oxide, (2'R,3R,3'S)-rel-
CAS No: 124751-36-6 Catalog No: AG000MPR MDL No:
Product Description
Catalog Number:
AG000MPR
Chemical Name:
Spiro[1-azabicyclo[2.2.2]octane-3,5'-[1,3]oxathiolane], 2'-methyl-, 3'-oxide, (2'R,3R,3'S)-rel-
CAS Number:
124751-36-6
Molecular Formula:
C10H17NO2S
Molecular Weight:
215.3125
IUPAC Name:
2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] 3-oxide
InChI:
InChI=1S/C10H17NO2S/c1-8-13-10(7-14(8)12)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3
InChI Key:
CFUGNFXJXCPICM-UHFFFAOYSA-N
SMILES:
O=[S@]1C[C@]2(O[C@H]1C)CN1CCC2CC1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.311g/mol
Monoisotopic Mass:
215.098g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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