Chem
J-GLOBAL ID:200907050580803862   Nikkaji number:J702.585H

2,2′,2′′-(1,3-Dibromo-2,4,6-benzenetriyltrismethylene)trisisothiourea

2,2′,2′′-(1,3-ジブロモ-2,4,6-ベンゼントリイルトリスメチレン)トリスイソチオ尿素
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: C12H16Br2N6S3
Molecular formula furigana: C12-H16-BR2-N6-S3
Molecular weight: 500.290
InChI: InChI=1S/C12H16Br2N6S3/c13-8-5(2-21-10(15)16)1-6(3-22-11(17)18)9(14)7(8)4-23-12(19)20/h1H,2-4H2,(H3,15,16)(H3,17,18)(H3,19,20)
InChI key: QFWMWJKYDUARDJ-UHFFFAOYSA-N
SMILES: NC(=N)SCc1cc(CSC(=N)N)c(Br)c(CSC(=N)N)c1Br
Systematic name  (4):
  • 2,2′,2′′-[(2,4-ジブロモベンゼン-1,3,5-トリイル)トリスメチレン]トリス(イソチオ尿素)
  • 2,2′,2′′-(1,3-ジブロモ-2,4,6-ベンゼントリイルトリスメチレン)トリスイソチオ尿素
  • [({2,4-ジブロモ-3,5-ビス[(カルバムイミドイルスルファニル)メチル]フェニル}メチル)スルファニル]メタンイミドアミド
  • [({2,4-dibromo-3,5-bis[(carbamimidoylsulfanyl)methyl]phenyl}methyl)sulfanyl]methanimidamide
Other name (2):
  • 2,2′,2′′-[(2,4-Dibromobenzene-1,3,5-triyl)trismethylene]tris(isothiourea)
  • 2,2′,2′′-(1,3-Dibromo-2,4,6-benzenetriyltrismethylene)trisisothiourea
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