Cas no 674301-51-0 (2-[3-(thiophen-2-yl)-ureido]-benzoic acid)

2-[3-(thiophen-2-yl)-ureido]-benzoic acid structure
674301-51-0 structure
Product Name:2-[3-(thiophen-2-yl)-ureido]-benzoic acid
CAS No:674301-51-0
MF:C12H10N2O3S
MW:262.284401416779
CID:2140204
PubChem ID:10264672
Update Time:2025-04-21

2-[3-(thiophen-2-yl)-ureido]-benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-[3-(thiophen-2-yl)-ureido]-benzoic acid
    • SCHEMBL5950725
    • DB-323640
    • 674301-51-0
    • Inchi: 1S/C12H10N2O3S/c15-11(16)8-4-1-2-5-9(8)13-12(17)14-10-6-3-7-18-10/h1-7H,(H,15,16)(H2,13,14,17)
    • InChI Key: ZIFRRUTYSXINOQ-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1NC(NC1C=CC=CC=1C(=O)O)=O

Computed Properties

  • Exact Mass: 262.04121336Da
  • Monoisotopic Mass: 262.04121336Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 324
  • 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: 3.3
  • Topological Polar Surface Area: 107?2
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