Chem
J-GLOBAL ID:200907025017330651   Nikkaji number:J862.775D

Acetic acid (1R,2R)-2-thiocyanatocyclohexyl ester

酢酸2α-チオシアナトシクロヘキサン-1β-イル
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: C9H13NO2S
Molecular formula furigana: C9-H13-N-O2-S
Molecular weight: 199.270
InChI: InChI=1S/C9H13NO2S/c1-7(11)12-8-4-2-3-5-9(8)13-6-10/h8-9H,2-5H2,1H3/t8-,9-/m1/s1
InChI key: KNKKSPMOBXYXPG-RKDXNWHRSA-N
SMILES: CC(=O)O[C@@H]1CCCC[C@H]1SC#N
Systematic name  (4):
  • 酢酸(1R,2R)-2-チオシアナトシクロヘキシル
  • 酢酸2α-チオシアナトシクロヘキサン-1β-イル
  • (1R,2R)-2-(シアノスルファニル)シクロヘキシル アセタート
  • (1R,2R)-2-(cyanosulfanyl)cyclohexyl acetate
Other name (2):
  • Acetic acid (1R,2R)-2-thiocyanatocyclohexyl ester
  • Acetic acid 2α-thiocyanatocyclohexane-1β-yl ester
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