Chem
J-GLOBAL ID：200907045894608084
Nikkaji number：J733.490G
4α-[1-(Phenylthio)cyclohexyl]-5β-methyl-1,3,2-dioxathiane
4α-[1-(フェニルチオ)シクロヘキシル]-5β-メチル-1,3,2-ジオキサチアン
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： C16H22O2S2
Molecular formula furigana： C16-H22-O2-S2
Molecular weight： 310.470
InChI：
InChI=1S/C16H22O2S2/c1-13-12-17-20-18-15(13)16(10-6-3-7-11-16)19-14-8-4-2-5-9-14/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3/t13-,15-/m0/s1
InChI key：
IRMSWNWPCKHYOD-ZFWWWQNUSA-N
SMILES：
C[C@H]1COSO[C@@H]1C1(CCCCC1)Sc1ccccc1
Systematic name (3)：
- 4α-[1-(フェニルチオ)シクロヘキシル]-5β-メチル-1,3,2-ジオキサチアン
- (4S,5S)-5-メチル-4-[1-(フェニルスルファニル)シクロヘキシル]-1,3,2-ジオキサチアン
- (4S,5S)-5-methyl-4-[1-(phenylsulfanyl)cyclohexyl]-1,3,2-dioxathiane
- 4α-[1-(Phenylthio)cyclohexyl]-5β-methyl-1,3,2-dioxathiane
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