Chem
J-GLOBAL ID：200907095297354737
Nikkaji number：J1.467.031I
Thiopropanoic acid S-(4-bromophenyl) ester
チオプロパン酸S-(4-ブロモフェニル)
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： C9H9BrOS
Molecular formula furigana： C9-H9-BR-O-S
Molecular weight： 245.130
InChI：
InChI=1S/C9H9BrOS/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3
InChI key：
MJUXNUQMIMUKIR-UHFFFAOYSA-N
SMILES：
CCC(=O)Sc1ccc(Br)cc1
Systematic name (3)：
- チオプロパン酸S-(4-ブロモフェニル)
- 1-[(4-ブロモフェニル)スルファニル]プロパン-1-オン
- 1-[(4-bromophenyl)sulfanyl]propan-1-one
- Thiopropanoic acid S-(4-bromophenyl) ester
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