Chem
J-GLOBAL ID：200907040767887282
Nikkaji number：J1.344.495A
[(1β,6β)-2,5-Bis(methylthio)-7,7-dimethyl-3-aza-4-azoniabicyclo[4.1.0]heptane-2,4-diene-4-yl]dicyanomethanide
[(1β,6β)-2,5-ビス(メチルチオ)-7,7-ジメチル-3-アザ-4-アゾニアビシクロ[4.1.0]ヘプタン-2,4-ジエン-4-イル]ジシアノメタニド
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： C11[C-]H14N3[N+]S2
Molecular formula furigana： C12-H14-N4-S2
Molecular weight： 278.390
InChI：
InChI=1S/C12H14N4S2/c1-12(2)8-9(12)11(18-4)16(7(5-13)6-14)15-10(8)17-3/h8-9H,1-4H3/t8-,9+/m0/s1
InChI key：
WPRATTBZTWJTML-DTWKUNHWSA-N
SMILES：
CSC1=N[N+](=C(SC)[C@H]2[C@@H]1C2(C)C)[C-](C#N)C#N
Systematic name (4)：
- [(1α,6α)-2,5-ビス(メチルチオ)-7,7-ジメチル-3-アゾニア-4-アザビシクロ[4.1.0]ヘプタン-2,4-ジエン-3-イル]ジシアノメタンイド
- [(1β,6β)-2,5-ビス(メチルチオ)-7,7-ジメチル-3-アザ-4-アゾニアビシクロ[4.1.0]ヘプタン-2,4-ジエン-4-イル]ジシアノメタニド
- ジシアノ[(1S,6R)-7,7-ジメチル-2,5-ビス(メチルスルファニル)-3,4-ジアザビシクロ[4.1.0]ヘプタ-2,4-ジエン-3-イウム-3-イル]メタニド
- dicyano[(1S,6R)-7,7-dimethyl-2,5-bis(methylsulfanyl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-3-ium-3-yl]methanide
- [(1α,6α)-2,5-Bis(methylthio)-7,7-dimethyl-3-azonia-4-azabicyclo[4.1.0]heptane-2,4-diene-3-yl]dicyanomethaneide
- [(1β,6β)-2,5-Bis(methylthio)-7,7-dimethyl-3-aza-4-azoniabicyclo[4.1.0]heptane-2,4-diene-4-yl]dicyanomethanide
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