Cas no 31182-23-7 (Thiourea, N,N'-dipentyl-)

Thiourea, N,N'-dipentyl- structure
Thiourea, N,N'-dipentyl- structure
Product Name:Thiourea, N,N'-dipentyl-
CAS No:31182-23-7
MF:C11H24N2S
MW:216.386661529541
CID:1445792
PubChem ID:10751225
Update Time:2025-04-20

Thiourea, N,N'-dipentyl- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, N,N'-dipentyl-
    • 1,3-dipentylthiourea
    • 31182-23-7
    • SCHEMBL462123
    • IFFMDHHTDSTHBZ-UHFFFAOYSA-N
    • DTXSID90444373
    • N,N'-dipentylthiourea
    • Inchi: 1S/C11H24N2S/c1-3-5-7-9-12-11(14)13-10-8-6-4-2/h3-10H2,1-2H3,(H2,12,13,14)
    • InChI Key: IFFMDHHTDSTHBZ-UHFFFAOYSA-N
    • SMILES: S=C(NCCCCC)NCCCCC

Computed Properties

  • Exact Mass: 216.16622
  • Monoisotopic Mass: 216.16601995g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 123
  • 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: 3.8
  • Topological Polar Surface Area: 56.2?2

Experimental Properties

  • PSA: 24.06
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