Chem
J-GLOBAL ID：200907001918013764
Nikkaji number：J1.942.918K
3-[(4-Chlorophenyl)thio]propanoic acid ethyl ester
3-[(4-クロロフェニル)チオ]プロパン酸エチル
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： C11H13ClO2S
Molecular formula furigana： C11-H13-CL-O2-S
Molecular weight： 244.730
InChI：
InChI=1S/C11H13ClO2S/c1-2-14-11(13)7-8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChI key：
BRFZXJHTDVXXFU-UHFFFAOYSA-N
SMILES：
CCOC(=O)CCSc1ccc(Cl)cc1
Systematic name (3)：
- 3-[(4-クロロフェニル)チオ]プロパン酸エチル
- エチル 3-[(4-クロロフェニル)スルファニル]プロパノアート
- ethyl 3-[(4-chlorophenyl)sulfanyl]propanoate
- 3-[(4-Chlorophenyl)thio]propanoic acid ethyl ester
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