Chem
J-GLOBAL ID:201207035677666408   Nikkaji number:J3.047.902E

2-(Methylthio)-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2α-carboxylic acid 2α-isopropyl-5β-methylcyclohexane-1α-yl ester

2-(メチルチオ)-4,5-ジメチル-3,6-ジヒドロ-2H-チオピラン-2α-カルボン酸2α-イソプロピル-5β-メチルシクロヘキサン-1α-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: C19H32O2S2
Molecular formula furigana: C19-H32-O2-S2
Molecular weight: 356.580
InChI: InChI=1S/C19H32O2S2/c1-12(2)16-8-7-13(3)9-17(16)21-18(20)19(22-6)10-14(4)15(5)11-23-19/h12-13,16-17H,7-11H2,1-6H3/t13-,16+,17+,19+/m1/s1
InChI key: AOVHQVJAOLGDQV-DOEAQHAXSA-N
SMILES: CS[C@]1(CC(=C(C)CS1)C)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C
Systematic name  (3):
  • 2-(メチルチオ)-4,5-ジメチル-3,6-ジヒドロ-2H-チオピラン-2α-カルボン酸2α-イソプロピル-5β-メチルシクロヘキサン-1α-イル
  • (1S,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル (2S)-4,5-ジメチル-2-(メチルスルファニル)-3,6-ジヒドロ-2H-チオピラン-2-カルボキシラート
  • (1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (2S)-4,5-dimethyl-2-(methylsulfanyl)-3,6-dihydro-2H-thiopyran-2-carboxylate
Other name (1):
  • 2-(Methylthio)-4,5-dimethyl-3,6-dihydro-2H-thiopyran-2α-carboxylic acid 2α-isopropyl-5β-methylcyclohexane-1α-yl ester
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