Chem
J-GLOBAL ID：200907036452651259
Nikkaji number：J677.229C
4,5,6,7-Tetrahydro-8-(methylthio)azulen-2(1H)-one
4,5,6,7-テトラヒドロ-8-(メチルチオ)アズレン-2(1H)-オン
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
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
Molecular formula： C11H14OS
Molecular formula furigana： C11-H14-O-S
Molecular weight： 194.290
InChI：
InChI=1S/C11H14OS/c1-13-11-5-3-2-4-8-6-9(12)7-10(8)11/h6H,2-5,7H2,1H3
InChI key：
FLVANDAUPWWZMI-UHFFFAOYSA-N
SMILES：
CSC1=C2CC(=O)C=C2CCCC1
Systematic name (3)：
- 4,5,6,7-テトラヒドロ-8-(メチルチオ)アズレン-2(1H)-オン
- 8-(メチルスルファニル)-1,2,4,5,6,7-ヘキサヒドロアズレン-2-オン
- 8-(methylsulfanyl)-1,2,4,5,6,7-hexahydroazulen-2-one
- 4,5,6,7-Tetrahydro-8-(methylthio)azulen-2(1H)-one
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