Chem
J-GLOBAL ID:200907001517898216   Nikkaji number:J2.626.560F

(2S)-1-Oxylato-2-[(1S)-1-phenylethyl]-1,3-dithiane-1-ium

(2S)-2-[(1S)-1-フェニルエチル]-1,3-ジチアン-1-イウム-1-オラート
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: C12H16[O-]S[S+]
Molecular formula furigana: C12-H16-O-S2
Molecular weight: 240.380
InChI: InChI=1S/C12H16OS2/c1-10(11-6-3-2-4-7-11)12-14-8-5-9-15(12)13/h2-4,6-7,10,12H,5,8-9H2,1H3/t10-,12-,15?/m0/s1
InChI key: DCIXXHJICWKBGL-NIUIKUMDSA-N
SMILES: C[C@H]([C@H]1SCCC[S+]1[O-])c1ccccc1
Systematic name  (3):
  • (2S)-1-オキシラト-2-[(1S)-1-フェニルエチル]-1,3-ジチアン-1-イウム
  • (2S)-2-[(1S)-1-フェニルエチル]-1,3-ジチアン-1-イウム-1-オラート
  • (2S)-2-[(1S)-1-phenylethyl]-1,3-dithian-1-ium-1-olate
Other name (1):
  • (2S)-1-Oxylato-2-[(1S)-1-phenylethyl]-1,3-dithiane-1-ium
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