Chem
J-GLOBAL ID：200907039386111689
Nikkaji number：J414.038I
5-Nitro-1,2-benzisothiazole
5-ニトロ-1,2-ベンゾチアゾール
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
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
Molecular formula： C7H4N[N+]O[O-]S
Molecular formula furigana： C7-H4-N2-O2-S
Molecular weight： 180.180
InChI：
InChI=1S/C7H4N2O2S/c10-9(11)6-1-2-7-5(3-6)4-8-12-7/h1-4H
InChI key：
AUYJMVMBVRSCMW-UHFFFAOYSA-N
SMILES：
[O-][N+](=O)c1ccc2sncc2c1
Systematic name (3)：
- 5-ニトロ-1,2-ベンゾイソチアゾール
- 5-ニトロ-1,2-ベンゾチアゾール
- 5-nitro-1,2-benzothiazole
- 5-Nitro-1,2-benzisothiazole
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