Chem
J-GLOBAL ID：200907063459012895   Nikkaji number：J347.868H

3-[(2-Carboxyethyl)thio]-6-chloro-4H-1,2,4-benzothiadiazine 1,1-dioxide

3-[(6-クロロ-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： C10H9ClN2O2[O-]2S[S+2]
Molecular formula furigana： C10-H9-CL-N2-O4-S2
Molecular weight： 320.760
InChI： InChI=1S/C10H9ClN2O4S2/c11-6-1-2-8-7(5-6)12-10(13-19(8,16)17)18-4-3-9(14)15/h1-2,5H,3-4H2,(H,12,13)(H,14,15)
InChI key： STYVDVXPDDHTGD-UHFFFAOYSA-N
SMILES： OC(=O)CCSC1=N[S+2]([O-])([O-])c2ccc(Cl)cc2N1
Systematic name  (4)：
  • 3-[(2-カルボキシエチル)チオ]-6-クロロ-4H-1,2,4-ベンゾチアジアジン1,1-ジオキシド
  • 3-[(6-クロロ-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
  • 3-[(2-カルボキシエチル)スルファニル]-6-クロロ-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)
  • 3-[(2-carboxyethyl)sulfanyl]-6-chloro-1,4-dihydro-1,2,4-benzothiadiazine-1,1-diium-1,1-bis(olate)
Other name (2)：
  • 3-[(2-Carboxyethyl)thio]-6-chloro-4H-1,2,4-benzothiadiazine 1,1-dioxide
  • 3-[(6-Chloro-2H-1,2,4-benzothiadiazine 1,1-dioxide)-3-ylthio]propanoic acid
CAS registry number： 124850-85-7
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