Cas no 32386-31-5 (Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis-)

Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis- structure
32386-31-5 structure
Product Name:Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis-
CAS No:32386-31-5
MF:C9H16O4S2
MW:252.350940704346
CID:322536
PubChem ID:330592
Update Time:2025-04-19

Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis- Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,2,2'-[1,5-pentanediylbis(thio)]bis-
    • (pentamethylenedithio)diacetic acid
    • 2-[5-(carboxymethylsulfanyl)pentylsulfanyl]acetic acid
    • ST50980139
    • 2-[5-(carboxymethylthio)pentylthio]acetic acid
    • 32386-31-5
    • DTXSID50317655
    • NSC-319673
    • SCHEMBL2807324
    • AKOS024353840
    • NSC319673
    • Inchi: 1S/C9H16O4S2/c10-8(11)6-14-4-2-1-3-5-15-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
    • InChI Key: CYHDWXPTWDSXTP-UHFFFAOYSA-N
    • SMILES: S(CC(=O)O)CCCCCSCC(=O)O

Computed Properties

  • Exact Mass: 252.049
  • Monoisotopic Mass: 252.049
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 10
  • Complexity: 177
  • 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: 1.8
  • Topological Polar Surface Area: 125?2

Experimental Properties

  • Density: 1.298
  • Boiling Point: 448.6°Cat760mmHg
  • Flash Point: 225.1°C
  • Refractive Index: 1.56
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