Cas no 6617-04-5 (3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyano-N-(4-methoxyphenyl)prop-2-enamide)

3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyano-N-(4-methoxyphenyl)prop-2-enamide structure
6617-04-5 structure
Product Name:3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CAS No:6617-04-5
MF:C9H16O2
MW:156.222143173218
CID:1704422
PubChem ID:3367086
Update Time:2025-09-27

3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Chemical and Physical Properties

Names and Identifiers

    • 3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
    • G75517
    • SCHEMBL3276937
    • EN300-55515
    • 2-(2-methylcyclohexyl)acetic Acid
    • A1-08457
    • AKOS008113671
    • Z352783476
    • 6617-04-5
    • 2-(2-methylcyclohexyl)acetic acid, Mixture of diastereomers
    • Inchi： 1S/C9H16O2/c1-7-4-2-3-5-8(7)6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
    • InChI Key： XZOWBIJUQVPEKP-UHFFFAOYSA-N
    • SMILES： OC(CC1CCCCC1C)=O

Computed Properties

  • Exact Mass: 465.05518
  • Monoisotopic Mass: 156.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 143
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.43
  • Boiling Point: 698.5°C at 760 mmHg
  • Flash Point: 376.3°C
  • Refractive Index: 1.687
  • PSA: 105.26

3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyano-N-(4-methoxyphenyl)prop-2-enamide Pricemore >>

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