Cas no 6290-56-8 (3-(2-methoxy-5-methylphenyl)-1-[4-(1-methylethyl)benzyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea)

3-(2-methoxy-5-methylphenyl)-1-[4-(1-methylethyl)benzyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea structure
6290-56-8 structure
Product Name:3-(2-methoxy-5-methylphenyl)-1-[4-(1-methylethyl)benzyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea
CAS No:6290-56-8
MF:C24H44O4
MW:396.603768348694
CID:2626863
Update Time:2025-03-21

3-(2-methoxy-5-methylphenyl)-1-[4-(1-methylethyl)benzyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea Chemical and Physical Properties

Names and Identifiers

    • 3-(2-methoxy-5-methylphenyl)-1-[4-(1-methylethyl)benzyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea
    • Didecylfumarat; sulfuric acid didecyl ester; AGN-PC-00FM3M; Schwefelsaeure-didecylester; Didecylsulfat; CTK1J5114; Schwefelsaeure-bis-decylester; Sulfuric acid, didecyl ester;
    • Nsc6736
    • 2-Butenedioic acid, 1,4-didecyl ester
    • Inchi: 1S/C24H44O4/c1-3-5-7-9-11-13-15-17-21-27-23(25)19-20-24(26)28-22-18-16-14-12-10-8-6-4-2/h19-20H,3-18,21-22H2,1-2H3
    • InChI Key: BVVRPLNLVUMGSL-UHFFFAOYSA-N
    • SMILES: C(OCCCCCCCCCC)(=O)C=CC(OCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 412.21866
  • Monoisotopic Mass: 396.32396
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 22
  • Complexity: 354
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Density: 1.142
  • Boiling Point: 538.3°C at 760 mmHg
  • Flash Point: 279.3°C
  • Refractive Index: 1.605
  • PSA: 33.73
  • LogP: 6.91040
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