Cas no 35826-82-5 (3H-Naphtho[2,1,8-mna]thioxanthen-3-one,1-methoxy-2-phenyl-)

3H-Naphtho[2,1,8-mna]thioxanthen-3-one,1-methoxy-2-phenyl- structure
35826-82-5 structure
Product Name:3H-Naphtho[2,1,8-mna]thioxanthen-3-one,1-methoxy-2-phenyl-
CAS No:35826-82-5
MF:C26H16O2S
MW:392.469045639038
CID:312170
PubChem ID:14511993
Update Time:2025-04-19

3H-Naphtho[2,1,8-mna]thioxanthen-3-one,1-methoxy-2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3H-Naphtho[2,1,8-mna]thioxanthen-3-one,1-methoxy-2-phenyl-
    • 1-Methoxy-2-phenyl-3H-naphtho(2,1,8-mna)thioxanthen-3-one
    • 1-methoxy-2-phenyl-3H-naphto<2,1,8-mna>thioxanthene-3-one
    • EINECS 252-741-6
    • 8LXD7443QB
    • UNII-8LXD7443QB
    • DTXSID80189362
    • 3H-NAPHTHO(2,1,8-MNA)THIOXANTHEN-3-ONE, 1-METHOXY-2-PHENYL-
    • NS00057899
    • 35826-82-5
    • Inchi: 1S/C26H16O2S/c1-28-26-19-12-11-17-16-9-5-6-10-20(16)29-21-14-13-18(23(19)24(17)21)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3
    • InChI Key: AEJVUKBFJZTFCE-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2C2=CC=C3C(=C(C4C=CC=CC=4)C(C4C=CC1=C2C3=4)=O)OC

Computed Properties

  • Exact Mass: 392.08718
  • Monoisotopic Mass: 392.08710092g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 2
  • Complexity: 693
  • 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: 6.3
  • Topological Polar Surface Area: 51.6?2

Experimental Properties

  • Density: 1.4
  • Boiling Point: 667.4°Cat760mmHg
  • Flash Point: 356.9°C
  • Refractive Index: 1.784
  • PSA: 26.3
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