Chem
J-GLOBAL ID:200907050956497857   Nikkaji number:J1.973.298C

2-Benzhydryl-4β-(iodomethyl)-5β-(2,2-dimethylpropyl)isothiazolidine 1,1-dioxide

2-ベンズヒドリル-4β-(ヨードメチル)-5β-(2,2-ジメチルプロピル)イソチアゾリジン1,1-ジオキシド
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: C22H28IN[O-]2[S+2]
Molecular formula furigana: C22-H28-I-N-O2-S
Molecular weight: 497.440
InChI: InChI=1S/C22H28INO2S/c1-22(2,3)14-20-19(15-23)16-24(27(20,25)26)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-21H,14-16H2,1-3H3/t19-,20-/m1/s1
InChI key: QFHVXERFJPRJQB-WOJBJXKFSA-N
SMILES: CC(C)(C)C[C@@H]1[C@H](CI)CN(C(c2ccccc2)c2ccccc2)[S+2]1([O-])[O-]
Systematic name  (3):
  • 2-ベンズヒドリル-4β-(ヨードメチル)-5β-(2,2-ジメチルプロピル)イソチアゾリジン1,1-ジオキシド
  • (4R,5R)-5-(2,2-ジメチルプロピル)-2-(ジフェニルメチル)-4-(ヨードメチル)-1,2-チアゾリジン-1,1-ジイウム-1,1-ビス(オラート)
  • (4R,5R)-5-(2,2-dimethylpropyl)-2-(diphenylmethyl)-4-(iodomethyl)-1,2-thiazolidine-1,1-diium-1,1-bis(olate)
Other name (1):
  • 2-Benzhydryl-4β-(iodomethyl)-5β-(2,2-dimethylpropyl)isothiazolidine 1,1-dioxide
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