Cas no 144223-20-1 (Isoquinoline, 1,2,3,4-tetrahydro-7-methyl-2-[(4-methylphenyl)sulfonyl]-)

Isoquinoline, 1,2,3,4-tetrahydro-7-methyl-2-[(4-methylphenyl)sulfonyl]- structure
144223-20-1 structure
Product Name:Isoquinoline, 1,2,3,4-tetrahydro-7-methyl-2-[(4-methylphenyl)sulfonyl]-
CAS No:144223-20-1
MF:C17H19NO2S
MW:301.40326333046
CID:1317226
Update Time:2024-08-18

Isoquinoline, 1,2,3,4-tetrahydro-7-methyl-2-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 1,2,3,4-tetrahydro-7-methyl-2-[(4-methylphenyl)sulfonyl]-
    • Inchi: 1S/C17H19NO2S/c1-13-4-7-17(8-5-13)21(19,20)18-10-9-15-6-3-14(2)11-16(15)12-18/h3-8,11H,9-10,12H2,1-2H3
    • InChI Key: VEKIUSKAEFINJM-UHFFFAOYSA-N
    • SMILES: C1C2=C(C=CC(C)=C2)CCN1S(C1=CC=C(C)C=C1)(=O)=O

Computed Properties

  • Exact Mass: 301.11377

Experimental Properties

  • Density: 1.219±0.06 g/cm3(Predicted)
  • Boiling Point: 461.8±55.0 °C(Predicted)
  • PSA: 37.38
  • pka: -6.16±0.20(Predicted)
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