Cas no 61290-56-0 (Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)-)

Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)- structure
61290-56-0 structure
Product Name:Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)-
CAS No:61290-56-0
MF:C13H20N2O3S
MW:284.374502182007
CID:485676
PubChem ID:12622973
Update Time:2025-04-19

Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)-
    • 1-[(3,4-dimethoxyphenyl)methyl]-3-(3-hydroxypropyl)thiourea
    • N-[(3,4-Dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)thiourea
    • 61290-56-0
    • DTXSID90504709
    • Inchi: 1S/C13H20N2O3S/c1-17-11-5-4-10(8-12(11)18-2)9-15-13(19)14-6-3-7-16/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,14,15,19)
    • InChI Key: DHFAQFQASCPNBZ-UHFFFAOYSA-N
    • SMILES: S=C(NCCCO)NCC1C=CC(=C(C=1)OC)OC

Computed Properties

  • Exact Mass: 284.1196
  • Monoisotopic Mass: 284.11946368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 7
  • Complexity: 266
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 94.8?2

Experimental Properties

  • PSA: 62.75
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