Chem
J-GLOBAL ID:200907051788523703   Nikkaji number:J2.154.612G

(S)-3-(4-Methoxyphenylthio)-4,4,4-trifluorobutanoic acid

(S)-3-(4-メトキシフェニルチオ)-4,4,4-トリフルオロブタン酸
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: C11H11F3O3S
Molecular formula furigana: C11-H11-F3-O3-S
Molecular weight: 280.260
InChI: InChI=1S/C11H11F3O3S/c1-17-7-2-4-8(5-3-7)18-9(6-10(15)16)11(12,13)14/h2-5,9H,6H2,1H3,(H,15,16)/t9-/m0/s1
InChI key: XJHPEETZLNDEGX-VIFPVBQESA-N
SMILES: COc1ccc(S[C@@H](CC(=O)O)C(F)(F)F)cc1
Systematic name  (3):
  • (S)-3-(4-メトキシフェニルチオ)-4,4,4-トリフルオロブタン酸
  • (3S)-4,4,4-トリフルオロ-3-[(4-メトキシフェニル)スルファニル]ブタン酸
  • (3S)-4,4,4-trifluoro-3-[(4-methoxyphenyl)sulfanyl]butanoic acid
Other name (1):
  • (S)-3-(4-Methoxyphenylthio)-4,4,4-trifluorobutanoic acid
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