Cas no 69098-56-2 (2,3,7,8-Tetramethoxythianthrene)

2,3,7,8-Tetramethoxythianthrene structure
69098-56-2 structure
Product Name:2,3,7,8-Tetramethoxythianthrene
CAS No:69098-56-2
MF:C16H16O4S2
MW:336.425842285156
CID:2682856
PubChem ID:148406
Update Time:2025-04-21

2,3,7,8-Tetramethoxythianthrene Chemical and Physical Properties

Names and Identifiers

    • 69098-56-2
    • AKOS004903566
    • SCHEMBL1201869
    • 41079-73-6
    • 2,3,7,8-Tetramethoxythianthrene
    • DTXSID40961429
    • Thianthrene, 2,3,7,8-tetramethoxy-
    • Inchi: 1S/C16H16O4S2/c1-17-9-5-13-14(6-10(9)18-2)22-16-8-12(20-4)11(19-3)7-15(16)21-13/h5-8H,1-4H3
    • InChI Key: JAEJQQGDBQVUAP-UHFFFAOYSA-N
    • SMILES: S1C2C=C(C(=CC=2SC2C=C(C(=CC1=2)OC)OC)OC)OC

Computed Properties

  • Exact Mass: 336.049
  • Monoisotopic Mass: 336.049
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 304
  • 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: 4
  • Topological Polar Surface Area: 87.5?2

Experimental Properties

  • Density: 1.288
  • Boiling Point: 483.9°Cat760mmHg
  • Flash Point: 246.4°C
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