Chem
J-GLOBAL ID：200907093848324840
Nikkaji number：J1.990.539J
7-Bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-one
7-ブロモ-2,3,4,5-テトラヒドロ-1-ベンゾチエピン-5-オン
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： C10H9BrOS
Molecular formula furigana： C10-H9-BR-O-S
Molecular weight： 257.149
InChI：
InChI=1S/C10H9BrOS/c11-7-3-4-10-8(6-7)9(12)2-1-5-13-10/h3-4,6H,1-2,5H2
InChI key：
RTRHFNSMIKVOHZ-UHFFFAOYSA-N
SMILES：
Brc1ccc2SCCCC(=O)c2c1
Systematic name (2)：
- 7-ブロモ-2,3,4,5-テトラヒドロ-1-ベンゾチエピン-5-オン
- 7-bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-one
- 7-Bromo-2,3,4,5-tetrahydro-1-benzothiepin-5-one
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