Cas no 57341-12-5 (1,4-Naphthalenedione, 2-(phenylthio)-)

1,4-Naphthalenedione, 2-(phenylthio)- structure
57341-12-5 structure
Product Name:1,4-Naphthalenedione, 2-(phenylthio)-
CAS No:57341-12-5
MF:C16H10O2S
MW:266.314403057098
CID:345716
PubChem ID:622329
Update Time:2025-04-19

1,4-Naphthalenedione, 2-(phenylthio)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione, 2-(phenylthio)-
    • 2-phenylsulfanylnaphthalene-1,4-dione
    • 2-Phenylthio-1,4-naphthoquinone
    • 2-(Phenylsulfanyl)naphthoquinone
    • 2-(Phenylsulfanyl)naphthoquinone #
    • SCHEMBL17250106
    • CHEMBL269468
    • 2-phenylsulfanyl-naphthalene-1,4-dione
    • DTXSID80347506
    • 2-Phenylsulfanyl-[1,4]naphthoquinone
    • YRZIOOUBKJSECZ-UHFFFAOYSA-N
    • 57341-12-5
    • Inchi: 1S/C16H10O2S/c17-14-10-15(19-11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)14/h1-10H
    • InChI Key: YRZIOOUBKJSECZ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)C1=CC(C2C=CC=CC=2C1=O)=O

Computed Properties

  • Exact Mass: 266.0402
  • Monoisotopic Mass: 266.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 407
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 59.4?2

Experimental Properties

  • PSA: 34.14
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