Cas no 2422-90-4 (Thiourea, N-dodecyl-)

Thiourea, N-dodecyl- structure
Thiourea, N-dodecyl- structure
Product Name:Thiourea, N-dodecyl-
CAS No:2422-90-4
MF:C13H28N2S
MW:244.43982219696
CID:273660
PubChem ID:3034130
Update Time:2025-04-19

Thiourea, N-dodecyl- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, N-dodecyl-
    • dodecylthiourea
    • Urea, 1-dodecyl-2-thio-
    • SCHEMBL11039593
    • 2422-90-4
    • DTXSID80178918
    • n-Lauryl thiourea
    • 4-04-00-00807 (Beilstein Handbook Reference)
    • SCHEMBL199562
    • F4R
    • BRN 1773891
    • Inchi: 1S/C13H28N2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16/h2-12H2,1H3,(H3,14,15,16)
    • InChI Key: PSYDSRLQABJJAD-UHFFFAOYSA-N
    • SMILES: S=C(N)NCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 244.19754
  • Monoisotopic Mass: 244.19732
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 11
  • Complexity: 160
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 5.2
  • Topological Polar Surface Area: 70.1

Experimental Properties

  • Density: 0.937
  • Boiling Point: 343.6°Cat760mmHg
  • Flash Point: 161.6°C
  • Refractive Index: 1.5
  • PSA: 38.05

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