Chem
J-GLOBAL ID：200907006034797941   Nikkaji number：J1.225.406G

CPD-5

CPD-5
Substance type：
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
Molecular formula： C13H12O3S
Molecular formula furigana： C13-H12-O3-S
Molecular weight： 248.300
InChI： InChI=1S/C13H12O3S/c1-8-11(15)9-4-2-3-5-10(9)12(16)13(8)17-7-6-14/h2-5,14H,6-7H2,1H3
InChI key： MZIOEPIEDDJOPP-UHFFFAOYSA-N
SMILES： CC1=C(SCCO)C(=O)c2ccccc2C1=O
Systematic name  (5)：
  • 2-(2-ヒドロキシエチルチオ)-3-メチル-1,4-ナフトキノン
  • 2-[(2-ヒドロキシエチル)チオ]-3-メチル-1,4-ナフトキノン
  • 2-メチル-3-(2-ヒドロキシエチルチオ)-1,4-ナフトキノン
  • 2-[(2-ヒドロキシエチル)スルファニル]-3-メチル-1,4-ジヒドロナフタレン-1,4-ジオン
  • 2-[(2-hydroxyethyl)sulfanyl]-3-methyl-1,4-dihydronaphthalene-1,4-dione
Other name (14)：
  • 2-(2-Hydroxyethylthio)-3-methyl-1,4-naphthoquinone
  • Cpd 5
  • 化合物5
  • Compound 5
  • 2-(2-メルカプトエタノール)-3-メチル-1,4-ナフトキノン
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CAS registry number： 59147-84-1
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