Chem
J-GLOBAL ID：200907025856998285
Nikkaji number：J1.002.582F
4-(Thiobenzoylthio)-4-cyanovaleric acid
4-シアノ-4-チオベンゾイルチオペンタン酸
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： C13H13NO2S2
Molecular formula furigana： C13-H13-N-O2-S2
Molecular weight： 279.370
InChI：
InChI=1S/C13H13NO2S2/c1-13(9-14,8-7-11(15)16)18-12(17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)
InChI key：
YNKQCPNHMVAWHN-UHFFFAOYSA-N
SMILES：
CC(CCC(=O)O)(SC(=S)c1ccccc1)C#N
Systematic name (31)：
- 4-(チオベンゾイルチオ)-4-シアノペンタン酸
- 4-[(チオベンゾイル)チオ]-4-シアノペンタン酸
- 4-[フェニル(チオカルボニル)チオ]-4-シアノペンタン酸
- 4-シアノ-4-(チオベンゾイルチオ)ペンタン酸
- ジチオ安息香酸1-シアノ-3-カルボキシ-1-メチルプロピル
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- 4-(Thiobenzoylthio)-4-cyanopentanoic acid
- 4-[(Thiobenzoyl)thio]-4-cyanopentanoic acid
- 4-[Phenyl(thiocarbonyl)thio]-4-cyanopentanoic acid
- 4-Cyano-4-(thiobenzoylthio)pentanoic acid
- Dithiobenzoic acid 1-cyano-3-carboxy-1-methylpropyl ester
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