rel-5-[(1R,2R,3S,5S)-3-(4-Fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methylisoxazole
CAS Registry Number®
1266655-36-0
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CAS Name
rel-5-[(1R,2R,3S,5S)-3-(4-Fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methylisoxazoleMolecular Formula
C17H18FNOSMolecular Mass
303.39Cite this Page
rel-5-[(1R,2R,3S,5S)-3-(4-Fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methylisoxazole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1266655-36-0 (retrieved ) (CAS RN: 1266655-36-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
88-90 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1/C17H18FNOS/c1-10-8-15(20-19-10)17-14(9-13-6-7-16(17)21-13)11-2-4-12(18)5-3-11/h2-5,8,13-14,16-17H,6-7,9H2,1H3/t13-,14+,16+,17+/s2
InChIKey
InChIKey=LXAGRMZFEDEAAM-BVQIUQRSNA-N
SMILES
CC=1C=C([C@H]2[C@H](C[C@]3(S[C@@]2(CC3)[H])[H])C4=CC=C(F)C=C4)ON1
Canonical SMILES
FC1=CC=C(C=C1)C2CC3SC(CC3)C2C=4ON=C(C4)C
Other Names for this Substance
- Isoxazole, 5-[(1R,2R,3S,5S)-3-(4-fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methyl-, rel-
- rel-5-[(1R,2R,3S,5S)-3-(4-Fluorophenyl)-8-thiabicyclo[3.2.1]oct-2-yl]-3-methylisoxazole
