Chem
J-GLOBAL ID：200907075897774330
Nikkaji number：J831.055F
(1α,4α)-3-[Bis(cyanomethylthio)methylene]bicyclo[2.2.1]heptan-2-one
(1α,4α)-3-[ビス(シアノメチルチオ)メチレン]ビシクロ[2.2.1]ヘプタン-2-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： C12H12N2OS2
Molecular formula furigana： C12-H12-N2-O-S2
Molecular weight： 264.360
InChI：
InChI=1S/C12H12N2OS2/c13-3-5-16-12(17-6-4-14)10-8-1-2-9(7-8)11(10)15/h8-9H,1-2,5-7H2/t8-,9+/m0/s1
InChI key：
XKXQKWRMVBKVGK-DTWKUNHWSA-N
SMILES：
O=C1[C@@H]2CC[C@@H](C2)C1=C(SCC#N)SCC#N
Systematic name (3)：
- (1α,4α)-3-[ビス(シアノメチルチオ)メチレン]ビシクロ[2.2.1]ヘプタン-2-オン
- 2-({[(シアノメチル)スルファニル][(1S,4R)-3-オキソビシクロ[2.2.1]ヘプタン-2-イリデン]メチル}スルファニル)アセトニトリル
- 2-({[(cyanomethyl)sulfanyl][(1S,4R)-3-oxobicyclo[2.2.1]heptan-2-ylidene]methyl}sulfanyl)acetonitrile
- (1α,4α)-3-[Bis(cyanomethylthio)methylene]bicyclo[2.2.1]heptan-2-one
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