Cas no 106181-22-0 (2-Thiophenehexanoic acid, 5-(2-thienylmethyl)-)

2-Thiophenehexanoic acid, 5-(2-thienylmethyl)- structure
106181-22-0 structure
Product Name:2-Thiophenehexanoic acid, 5-(2-thienylmethyl)-
CAS No:106181-22-0
MF:C15H18O2S2
MW:294.432221889496
CID:1173424
Update Time:2024-07-25

2-Thiophenehexanoic acid, 5-(2-thienylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenehexanoic acid, 5-(2-thienylmethyl)-
    • Inchi: 1S/C15H18O2S2/c16-15(17)7-3-1-2-5-12-8-9-14(19-12)11-13-6-4-10-18-13/h4,6,8-10H,1-3,5,7,11H2,(H,16,17)
    • InChI Key: XXMFKHVVEWRRAY-UHFFFAOYSA-N
    • SMILES: C1(CCCCCC(O)=O)SC(CC2SC=CC=2)=CC=1

Computed Properties

  • Exact Mass: 294.07494

Experimental Properties

  • Density: 1.220±0.06 g/cm3(Predicted)
  • Melting Point: 30 °C
  • Boiling Point: 295-298 °C(Press: 18 Torr)
  • PSA: 37.3
  • pka: 4.76±0.10(Predicted)
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