Cas no 145655-98-7 (4H-Cyclopenta[b]thiophene-4,6(5H)-dione, 5-acetyl-)

4H-Cyclopenta[b]thiophene-4,6(5H)-dione, 5-acetyl- structure
145655-98-7 structure
Product Name:4H-Cyclopenta[b]thiophene-4,6(5H)-dione, 5-acetyl-
CAS No:145655-98-7
MF:C9H6O3S
MW:194.207141399384
CID:1315689
Update Time:2024-08-18

4H-Cyclopenta[b]thiophene-4,6(5H)-dione, 5-acetyl- Chemical and Physical Properties

Names and Identifiers

    • 4H-Cyclopenta[b]thiophene-4,6(5H)-dione, 5-acetyl-
    • Inchi: 1S/C9H6O3S/c1-4(10)6-7(11)5-2-3-13-9(5)8(6)12/h2-3,6H,1H3
    • InChI Key: ZINBFEZSPZTDTJ-UHFFFAOYSA-N
    • SMILES: C12C(=O)C(C(C)=O)C(=O)C=1C=CS2

Computed Properties

  • Exact Mass: 194.00378

Experimental Properties

  • Density: 1.468±0.06 g/cm3(Predicted)
  • Boiling Point: 384.5±42.0 °C(Predicted)
  • PSA: 51.21
  • pka: 3.85±0.20(Predicted)
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