Cas no 110699-23-5 (Propanoic acid, 2,2'-[2,6-naphthalenediylbis(carbonothioylthio)]bis-)

Propanoic acid, 2,2'-[2,6-naphthalenediylbis(carbonothioylthio)]bis- structure
110699-23-5 structure
Product Name:Propanoic acid, 2,2'-[2,6-naphthalenediylbis(carbonothioylthio)]bis-
CAS No:110699-23-5
MF:C18H16O4S4
MW:424.577239990234
CID:1194743
Update Time:2024-08-05

Propanoic acid, 2,2'-[2,6-naphthalenediylbis(carbonothioylthio)]bis- Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid, 2,2'-[2,6-naphthalenediylbis(carbonothioylthio)]bis-
    • Propanoic acid, 2,2'-[2,6-naphthalenediylbis(carbonothioylthio)]bis- (9CI)
    • Inchi: 1S/C18H16O4S4/c1-9(15(19)20)25-17(23)13-5-3-12-8-14(6-4-11(12)7-13)18(24)26-10(2)16(21)22/h3-10H,1-2H3,(H,19,20)(H,21,22)
    • InChI Key: KSLCYNKDXSPODF-UHFFFAOYSA-N
    • SMILES: C1=C2C(C=C(C(SC(C)C(O)=O)=S)C=C2)=CC=C1C(SC(C)C(O)=O)=S

Computed Properties

  • Exact Mass: 423.99328

Experimental Properties

  • Density: 1.482±0.06 g/cm3(Predicted)
  • Melting Point: 215-216 °C (decomp)(Solv: methanol (67-56-1); water (7732-18-5))
  • Boiling Point: 659.8±65.0 °C(Predicted)
  • PSA: 74.6
  • pka: 2.62±0.10(Predicted)
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