Cas no 60759-01-5 (Benzenecarbothioamide, 3-ethoxy-4-propoxy-)

Benzenecarbothioamide, 3-ethoxy-4-propoxy- structure
60759-01-5 structure
Product Name:Benzenecarbothioamide, 3-ethoxy-4-propoxy-
CAS No:60759-01-5
MF:C12H17NO2S
MW:239.33388209343
CID:1621124
PubChem ID:7745253
Update Time:2025-04-21

Benzenecarbothioamide, 3-ethoxy-4-propoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzenecarbothioamide, 3-ethoxy-4-propoxy-
    • 3-ethoxy-4-propoxybenzenecarbothioamide
    • 60759-01-5
    • AKOS002669661
    • DTXSID50428912
    • Inchi: 1S/C12H17NO2S/c1-3-7-15-10-6-5-9(12(13)16)8-11(10)14-4-2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,16)
    • InChI Key: HXBLGWGNNARSRA-UHFFFAOYSA-N
    • SMILES: S=C(C1C=CC(=C(C=1)OCC)OCCC)N

Computed Properties

  • Exact Mass: 239.09811
  • Monoisotopic Mass: 239.09799996g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 223
  • 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: 2.8
  • Topological Polar Surface Area: 76.6?2

Experimental Properties

  • PSA: 44.48

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