Chem
J-GLOBAL ID：201407067951230704   Nikkaji number：J3.256.484D

Garlicnin B3

ガルリクニンB3
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： C9H16O[O-]S[S+]
Molecular formula furigana： C9-H16-O2-S2
Molecular weight： 220.350
InChI： InChI=1S/C9H16O2S2/c1-4-5-8-6(2)7(3)9(12-10)13(8)11/h4,6-10H,1,5H2,2-3H3/t6-,7+,8-,9+,13?/m1/s1
InChI key： BWCBRBXZARMWOF-PRAMRESUSA-N
SMILES： C[C@@H]1[C@H](C)[C@@H](SO)[S+]([O-])[C@@H]1CC=C
Systematic name  (5)：
  • 2α-スルフェノ-3β,4β-ジメチル-5β-アリルテトラヒドロチオフェン1-オキシド
  • (2S,3S,4R,5R)-2-スルフェノ-3,4-ジメチル-5-アリルテトラヒドロチオフェン1-オキシド
  • (2S,3S,4R,5R)-5-アリル-3,4-ジメチルテトラヒドロチオフェン-2-スルフェン酸1-オキシド
  • (2S,3S,4R,5R)-2-(ヒドロキシスルファニル)-3,4-ジメチル-5-(プロパ-2-エン-1-イル)チオラン-1-イウム-1-オラート
  • (2S,3S,4R,5R)-2-(hydroxysulfanyl)-3,4-dimethyl-5-(prop-2-en-1-yl)thiolan-1-ium-1-olate
Other name (5)：
  • 2α-Sulfeno-3β,4β-dimethyl-5β-allyltetrahydrothiophene 1-oxide
  • ガルリクニンB3
  • Garlicnin B3
  • (2S,3S,4R,5R)-2-Sulfeno-3,4-dimethyl-5-allyltetrahydrothiophene 1-oxide
  • (2S,3S,4R,5R)-5-Allyl-3,4-dimethyltetrahydrothiophene-2-Sulfenic acid 1-oxide
CAS registry number： 1493649-46-9
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