Chem
J-GLOBAL ID：200907020539723473   Nikkaji number：J1.344.966J

(3aα,9aβ)-1-(1-Adamantyl)-3,3-bis(trifluoromethyl)decahydrocycloocta[c]isothiazole

(3aα,9aβ)-1-(1-アダマンチル)-3,3-ビス(トリフルオロメチル)デカヒドロシクロオクタ[c]イソチアゾール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H29F6NS
Molecular formula furigana： C21-H29-F6-N-S
Molecular weight： 441.520
InChI： InChI=1S/C21H29F6NS/c22-20(23,24)19(21(25,26)27)16-5-3-1-2-4-6-17(16)28(29-19)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-17H,1-12H2/t13-,14?,15?,16-,17-,18-/m0/s1
InChI key： SOQANUKSQMKDER-ZZTPGCILSA-N
SMILES： FC(F)(F)C1(SN([C@H]2CCCCCC[C@H]12)[C@@]12CC3C[C@@H](CC(C3)C1)C2)C(F)(F)F
Systematic name  (3)：
  • (3aα,9aβ)-1-(1-アダマンチル)-3,3-ビス(トリフルオロメチル)デカヒドロシクロオクタ[c]イソチアゾール
  • (3aS,9aS)-1-[(3r)-アダマンタン-1-イル]-3,3-ビス(トリフルオロメチル)-デカヒドロシクロオクタ[c][1,2]チアゾール
  • (3aS,9aS)-1-[(3r)-adamantan-1-yl]-3,3-bis(trifluoromethyl)-decahydrocycloocta[c][1,2]thiazole
Other name (1)：
  • (3aα,9aβ)-1-(1-Adamantyl)-3,3-bis(trifluoromethyl)decahydrocycloocta[c]isothiazole
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