Cas no 6959-73-5 (Urea,N-[2-(methylsulfonyl)ethyl]-)

Urea,N-[2-(methylsulfonyl)ethyl]- structure
6959-73-5 structure
Product Name:Urea,N-[2-(methylsulfonyl)ethyl]-
CAS No:6959-73-5
MF:C4H10N2O3S
MW:166.198799610138
CID:525011
PubChem ID:250253
Update Time:2025-04-19

Urea,N-[2-(methylsulfonyl)ethyl]- Chemical and Physical Properties

Names and Identifiers

    • Urea,N-[2-(methylsulfonyl)ethyl]-
    • 6959-73-5
    • NSC-69433
    • SCHEMBL2709816
    • NSC69433
    • N-[2-(Methanesulfonyl)ethyl]carbamimidic acid
    • DTXSID40989668
    • Inchi: 1S/C4H10N2O3S/c1-10(8,9)3-2-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
    • InChI Key: RRBQNJXQYGPMPA-UHFFFAOYSA-N
    • SMILES: S(C)(CCNC(N)=O)(=O)=O

Computed Properties

  • Exact Mass: 166.0413
  • Monoisotopic Mass: 166.041213
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 203
  • 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
  • Topological Polar Surface Area: 97.6
  • XLogP3: -1.7

Experimental Properties

  • Density: 1.327
  • Boiling Point: 393°Cat760mmHg
  • Flash Point: 191.5°C
  • Refractive Index: 1.499
  • PSA: 89.26
  • LogP: 0.87130

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