Chem
J-GLOBAL ID：200907030925907053   Nikkaji number：J347.903J

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

[[(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]酢酸
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： C9H6Br2N2O2[O-]2S[S+2]
Molecular formula furigana： C9-H6-BR2-N2-O4-S2
Molecular weight： 430.090
InChI： InChI=1S/C9H6Br2N2O4S2/c10-4-1-5(11)8-6(2-4)19(16,17)13-9(12-8)18-3-7(14)15/h1-2H,3H2,(H,12,13)(H,14,15)
InChI key： WHNQTMBHHUCBTH-UHFFFAOYSA-N
SMILES： OC(=O)CSC1=N[S+2]([O-])([O-])c2cc(Br)cc(Br)c2N1
Systematic name  (4)：
  • 3-[(カルボキシメチル)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
  • [[(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]酢酸
  • 5,7-ジブロモ-3-[(カルボキシメチル)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-[(carboxymethyl)sulfanyl]-1,4-dihydro-1,2,4-benzothiadiazine-1,1-diium-1,1-bis(olate)
Other name (2)：
  • 3-[(Carboxymethyl)thio]-5,7-dibromo-4H-1,2,4-benzothiadiazine 1,1-dioxide
  • [[(5,7-Dibromo-2H-1,2,4-benzothiadiazine 1,1-dioxide)-3-yl]thio]acetic acid
CAS registry number： 114260-75-2
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