Chem
J-GLOBAL ID：200907082050581558   Nikkaji number：J1.973.514A

(1S,7aα)-1α-(2,2,2-Trifluoroethyl)-2β-(methylthio)hexahydro-1H-pyrrolizine-3-one

(1S,7aα)-1α-(2,2,2-トリフルオロエチル)-2β-(メチルチオ)ヘキサヒドロ-1H-ピロリザイン-3-オン
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： C10H14F3NOS
Molecular formula furigana： C10-H14-F3-N-O-S
Molecular weight： 253.280
InChI： InChI=1S/C10H14F3NOS/c1-16-8-6(5-10(11,12)13)7-3-2-4-14(7)9(8)15/h6-8H,2-5H2,1H3/t6-,7-,8+/m0/s1
InChI key： KJWNAPQWBUQSKT-BIIVOSGPSA-N
SMILES： CS[C@@H]1[C@@H](CC(F)(F)F)[C@@H]2CCCN2C1=O
Systematic name  (5)：
  • (1S,2R,7aS)-1-(2,2,2-トリフルオロエチル)-2-(メチルチオ)ヘキサヒドロ-1H-ピロリザイン-3-オン
  • 1α-(2,2,2-トリフルオロエチル)-2β-(メチルチオ)-1,2,5,6,7,7aα-ヘキサヒドロ-3H-ピロリザイン-3-オン
  • (1S,7aα)-1α-(2,2,2-トリフルオロエチル)-2β-(メチルチオ)ヘキサヒドロ-1H-ピロリザイン-3-オン
  • (1S,2R,7aS)-2-(メチルスルファニル)-1-(2,2,2-トリフルオロエチル)-ヘキサヒドロ-1H-ピロリジン-3-オン
  • (1S,2R,7aS)-2-(methylsulfanyl)-1-(2,2,2-trifluoroethyl)-hexahydro-1H-pyrrolizin-3-one
Other name (3)：
  • (1S,2R,7aS)-1-(2,2,2-Trifluoroethyl)-2-(methylthio)hexahydro-1H-pyrrolizine-3-one
  • 1α-(2,2,2-Trifluoroethyl)-2β-(methylthio)-1,2,5,6,7,7aα-hexahydro-3H-pyrrolizine-3-one
  • (1S,7aα)-1α-(2,2,2-Trifluoroethyl)-2β-(methylthio)hexahydro-1H-pyrrolizine-3-one
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