Cas no 6974-31-8 (Undecanoic acid,11-(acetylthio)-)

Undecanoic acid,11-(acetylthio)- structure
6974-31-8 structure
Product Name:Undecanoic acid,11-(acetylthio)-
CAS No:6974-31-8
MF:C13H24O3S
MW:260.392863273621
CID:511410
PubChem ID:229573
Update Time:2025-04-19

Undecanoic acid,11-(acetylthio)- Chemical and Physical Properties

Names and Identifiers

    • Undecanoic acid,11-(acetylthio)-
    • 11-acetylsulfanylundecanoic acid
    • 11-acetylthioundecanoic acid
    • 11-thioacetoxyundecanoic acid
    • 11-thiolacetate undecanoic acid
    • DTXSID70281884
    • NSC-23340
    • 11-(acetylsulfanyl)undecanoic acid
    • 6974-31-8
    • doi:10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N
    • SCHEMBL1647647
    • 10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N
    • NSC23340
    • Inchi: 1S/C13H24O3S/c1-12(14)17-11-9-7-5-3-2-4-6-8-10-13(15)16/h2-11H2,1H3,(H,15,16)
    • InChI Key: DHKWYRRJFXRZOA-UHFFFAOYSA-N
    • SMILES: S(C(C)=O)CCCCCCCCCCC(=O)O

Computed Properties

  • Exact Mass: 260.14500
  • Monoisotopic Mass: 260.14461580g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 12
  • Complexity: 217
  • 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: 3.9
  • Topological Polar Surface Area: 79.7?2

Experimental Properties

  • PSA: 79.67000
  • LogP: 3.86160

Undecanoic acid,11-(acetylthio)- Pricemore >>

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