Chem
J-GLOBAL ID:200907003769056210   Nikkaji number:J365.717E

2-(2,4-Bis(benzylthio)-6-propyl-5-pyrimidinyl)tetrahydro-6H-1,3,6,2-dioxazaborocine

2-[2,4-ビス(ベンジルスルファニル)-6-プロピルピリミジン-5-イル]-1,3,6,2-ジオキサザボロカン
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: C25H30BN3O2S2
Molecular formula furigana: C25-H30-B-N3-O2-S2
Molecular weight: 479.460
InChI: InChI=1S/C25H30BN3O2S2/c1-2-9-22-23(26-30-16-14-27-15-17-31-26)24(32-18-20-10-5-3-6-11-20)29-25(28-22)33-19-21-12-7-4-8-13-21/h3-8,10-13,27H,2,9,14-19H2,1H3
InChI key: DQJWJPAEUHWIGN-UHFFFAOYSA-N
SMILES: CCCc1nc(SCc2ccccc2)nc(SCc2ccccc2)c1B1OCCNCCO1
Systematic name  (3):
  • 2-(2,4-ビス(ベンジルチオ)-6-プロピル-5-ピリミジニル)テトラヒドロ-6H-1,3,6,2-ジオキサザボロシン
  • 2-[2,4-ビス(ベンジルスルファニル)-6-プロピルピリミジン-5-イル]-1,3,6,2-ジオキサザボロカン
  • 2-[2,4-bis(benzylsulfanyl)-6-propylpyrimidin-5-yl]-1,3,6,2-dioxazaborocane
Other name (1):
  • 2-(2,4-Bis(benzylthio)-6-propyl-5-pyrimidinyl)tetrahydro-6H-1,3,6,2-dioxazaborocine
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