Chem
J-GLOBAL ID：200907052383322960   Nikkaji number：J347.873D

3-[(2-Carboxyethyl)thio]-5,7-dibromo-4H-1,2,4-benzothiadiazine 1,1-dioxide

3-[(5,7-ジブロモ-2H-1,2,4-ベンゾチアジアジン1,1-ジオキシド)-3-イルチオ]プロパン酸
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： C10H8Br2N2O2[O-]2S[S+2]
Molecular formula furigana： C10-H8-BR2-N2-O4-S2
Molecular weight： 444.110
InChI： InChI=1S/C10H8Br2N2O4S2/c11-5-3-6(12)9-7(4-5)20(17,18)14-10(13-9)19-2-1-8(15)16/h3-4H,1-2H2,(H,13,14)(H,15,16)
InChI key： DLSBSQQFPWHZBC-UHFFFAOYSA-N
SMILES： OC(=O)CCSC1=N[S+2]([O-])([O-])c2cc(Br)cc(Br)c2N1
Systematic name  (4)：
  • 3-[(2-カルボキシエチル)チオ]-5,7-ジブロモ-4H-1,2,4-ベンゾチアジアジン1,1-ジオキシド
  • 3-[(5,7-ジブロモ-2H-1,2,4-ベンゾチアジアジン1,1-ジオキシド)-3-イルチオ]プロパン酸
  • 5,7-ジブロモ-3-[(2-カルボキシエチル)スルファニル]-1,4-ジヒドロ-1,2,4-ベンゾチアジアジン-1,1-ジイウム-1,1-ビス(オラート)
  • 5,7-dibromo-3-[(2-carboxyethyl)sulfanyl]-1,4-dihydro-1,2,4-benzothiadiazine-1,1-diium-1,1-bis(olate)
Other name (2)：
  • 3-[(2-Carboxyethyl)thio]-5,7-dibromo-4H-1,2,4-benzothiadiazine 1,1-dioxide
  • 3-[(5,7-Dibromo-2H-1,2,4-benzothiadiazine 1,1-dioxide)-3-ylthio]propanoic acid
CAS registry number： 124802-92-2
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