Chem
J-GLOBAL ID:200907004253575293   Nikkaji number:J1.052.602G

2-Cyclohexene-1-carbothioic acid S-phenyl ester

2-シクロヘキセン-1-カルボチオ酸S-フェニル
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: C13H14OS
Molecular formula furigana: C13-H14-O-S
Molecular weight: 218.310
InChI: InChI=1S/C13H14OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h2-3,5-7,9-11H,1,4,8H2
InChI key: MXCLKLZHZDQHSF-UHFFFAOYSA-N
SMILES: O=C(Sc1ccccc1)C1CCCC=C1
Systematic name  (4):
  • 2-シクロヘキセン-1-チオカルボン酸S-フェニル
  • 2-シクロヘキセン-1-カルボチオ酸S-フェニル
  • (シクロヘキサ-2-エン-1-イル)(フェニルスルファニル)メタノン
  • (cyclohex-2-en-1-yl)(phenylsulfanyl)methanone
Other name (2):
  • 2-Cyclohexene-1-thiocarboxylic acid S-phenyl ester
  • 2-Cyclohexene-1-carbothioic acid S-phenyl ester
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