Chem
J-GLOBAL ID：200907010495936967   Nikkaji number：J246.996K

(αS)-α-[(R)-1-(Octylamino)ethyl]-4-[(1-methylethyl)thio]benzenemethanol

(S)-4-(イソプロピルチオ)-α-[(R)-1-(オクチルアミノ)エチル]ベンゼンメタノール
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： C20H35NOS
Molecular formula furigana： C20-H35-N-O-S
Molecular weight： 337.570
InChI： InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
InChI key： BFCDFTHTSVTWOG-YLJYHZDGSA-N
SMILES： CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1
Systematic name  (4)：
  • (S)-4-(イソプロピルチオ)-α-[(R)-1-(オクチルアミノ)エチル]ベンゼンメタノール
  • (αS)-α-[(R)-1-(オクチルアミノ)エチル]-4-[(1-メチルエチル)チオ]ベンゼンメタノール
  • (1S,2R)-2-(オクチルアミノ)-1-[4-(プロパン-2-イルスルファニル)フェニル]プロパン-1-オール
  • (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylsulfanyl)phenyl]propan-1-ol
Other name (1)：
  • (αS)-α-[(R)-1-(Octylamino)ethyl]-4-[(1-methylethyl)thio]benzenemethanol
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