Cas no 62351-13-7 (Thiourea, N-(1-methylpropyl)-N'-propyl-)

Thiourea, N-(1-methylpropyl)-N'-propyl- structure
62351-13-7 structure
Product Name:Thiourea, N-(1-methylpropyl)-N'-propyl-
CAS No:62351-13-7
MF:C8H18N2S
MW:174.306920528412
CID:448322
PubChem ID:19652061
Update Time:2025-04-19

Thiourea, N-(1-methylpropyl)-N'-propyl- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, N-(1-methylpropyl)-N'-propyl-
    • 1-butan-2-yl-3-propylthiourea
    • AKOS003716386
    • DTXSID80599169
    • N-Butan-2-yl-N'-propylthiourea
    • 62351-13-7
    • Inchi: 1S/C8H18N2S/c1-4-6-9-8(11)10-7(3)5-2/h7H,4-6H2,1-3H3,(H2,9,10,11)
    • InChI Key: ZOQJLQHKGGSORN-UHFFFAOYSA-N
    • SMILES: S=C(NCCC)NC(C)CC

Computed Properties

  • Exact Mass: 174.11924
  • Monoisotopic Mass: 174.11906976g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 115
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 56.2?2

Experimental Properties

  • PSA: 24.06
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