Cas no 21153-31-1 ( )

  structure
  structure
Product Name: 
CAS No:21153-31-1
MF:C10H18O4S
MW:234.312522411346
CID:911187
PubChem ID:287565
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 3-(2-carboxy-2-methylpropyl)sulfanyl-2,2-dimethylpropanoic acid
    • 2,2,6,6-Tetramethyl-4-thia-heptandisaeure
    • 2,2,6,6-tetramethyl-4-thia-heptanedioic acid
    • 3-(3-hydroxy-2,2-dimethyl-3-oxopropyl)sulfanyl-2,2-dimethylpropanoic acid
    • 3,3'-sulfanediylbis(2,2-dimethylpropanoic acid)
    • 3,3'-thiobis(2,2-dimethylpropanoic acid)
    • AC1L67NP
    • AC1Q5RPT
    • AG-J-08548
    • AR-1E8840
    • Bis-(2-carboxy-2-methyl-propyl)-sulfid
    • CTK4E5977
    • NSC147620
    • thiodipivalic acid
    • NSC-147620
    • 21153-31-1
    • DTXSID90301957
    • 3-[(2-carboxy-2,2-dimethylethyl)sulfanyl]-2,2-dimethylpropanoic acid
    • EN300-37434611
    •  
    • Inchi: 1S/C10H18O4S/c1-9(2,7(11)12)5-15-6-10(3,4)8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14)
    • InChI Key: LPMOTCHEBQYNQI-UHFFFAOYSA-N
    • SMILES: S(CC(C(=O)O)(C)C)CC(C(=O)O)(C)C

Computed Properties

  • Exact Mass: 234.09264
  • Monoisotopic Mass: 234.09258022g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 232
  • 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: 1.7
  • Topological Polar Surface Area: 99.9?2

Experimental Properties

  • PSA: 74.6
  • LogP: 1.94120

  Pricemore >>

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