Cas no 323176-91-6 (1-Propanone,1-(5-chloro-3-methylbenzo[b]thien-2-yl)-3-(dimethylamino)-)

1-Propanone,1-(5-chloro-3-methylbenzo[b]thien-2-yl)-3-(dimethylamino)- structure
323176-91-6 structure
Product Name:1-Propanone,1-(5-chloro-3-methylbenzo[b]thien-2-yl)-3-(dimethylamino)-
CAS No:323176-91-6
MF:C14H16ClNOS
MW:281.800941467285
CID:1454767
Update Time:2024-08-25

1-Propanone,1-(5-chloro-3-methylbenzo[b]thien-2-yl)-3-(dimethylamino)- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone,1-(5-chloro-3-methylbenzo[b]thien-2-yl)-3-(dimethylamino)-
    • 1-Propanone, 1-(5-chloro-3-methylbenzo[b]thien-2-yl)-3-(dimethylamino)-
    • Inchi: 1S/C14H16ClNOS/c1-9-11-8-10(15)4-5-13(11)18-14(9)12(17)6-7-16(2)3/h4-5,8H,6-7H2,1-3H3
    • InChI Key: XLBZOSWZDNBBLC-UHFFFAOYSA-N
    • SMILES: C(C1SC2=CC=C(Cl)C=C2C=1C)(=O)CCN(C)C

Computed Properties

  • Exact Mass: 281.06428

Experimental Properties

  • Density: 1.227±0.06 g/cm3(Predicted)
  • Boiling Point: 412.0±45.0 °C(Predicted)
  • PSA: 20.31
  • pka: 8.61±0.28(Predicted)
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