Cas no 10312-58-0 (Propanoic acid,3-mercapto-,1,1'-[2-[(3-mercapto-1-oxopropoxy)methyl]-2-methyl-1,3-propanediyl] ester)

Propanoic acid,3-mercapto-,1,1'-[2-[(3-mercapto-1-oxopropoxy)methyl]-2-methyl-1,3-propanediyl] ester structure
10312-58-0 structure
Product Name:Propanoic acid,3-mercapto-,1,1'-[2-[(3-mercapto-1-oxopropoxy)methyl]-2-methyl-1,3-propanediyl] ester
CAS No:10312-58-0
MF:C14H24O6S3
MW:384.531761169434
CID:230036
PubChem ID:82541
Update Time:2025-04-19

Propanoic acid,3-mercapto-,1,1'-[2-[(3-mercapto-1-oxopropoxy)methyl]-2-methyl-1,3-propanediyl] ester Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,3-mercapto-,1,1'-[2-[(3-mercapto-1-oxopropoxy)methyl]-2-methyl-1,3-propanediyl] ester
    • TRIMETHYLOLETHANE TRI-(3-MERCAPTO PROPIONATE)
    • Einecs 233-691-4
    • ropanediylester
    • 1,1,1-TRIMETHYLOLPROPANE TRIS-(3-MERCAPTOPROPIONATE)
    • 2-HYDROXYMETHYL-2-METHYL-1,3-PROPANEDIOL TRIS-(3-MERCAPTOPROPIONATE)
    • propanoicacid,3-mercapto-,2-[(3-mercapto-1-oxopropoxy)methyl]-2-methyl-1,3-p
    • 2-[(3-mercapto-1-oxopropoxy)methyl]-2-methylpropane-1,3-diyl bis[3-mercaptopropionate]
    • Propanoic acid, 3-mercapto-, 2-((3-mercapto-1-oxopropoxy)methyl)-2-methyl-1,3-propanediyl ester
    • Propanoic acid, 3-mercapto-, 1,1'-(2-((3-mercapto-1-oxopropoxy)methyl)-2-methyl-1,3-propanediyl) ester
    • Propanoic acid, 3-mercapto-, 2-[(3-mercapto-1-oxopropoxy)methyl]-2-methyl-1,3-propanediyl ester
    • 10312-58-0
    • 2-methyl-3-[(3-sulfanylpropanoyl)oxy]-2-{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate
    • DTXSID3065033
    • NS00023204
    • 2-((3-Mercapto-1-oxopropoxy)methyl)-2-methylpropane-1,3-diyl bis(3-mercaptopropionate)
    • 2-((3-mercaptopropanoyloxy)methyl)-2-methylpropane-1,3-diyl bis(3-mercaptopropanoate)
    • [2-methyl-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
    • SCHEMBL356288
    • AKOS024429970
    • MDL： MFCD00022103
    • Inchi： 1S/C14H24O6S3/c1-14(8-18-11(15)2-5-21,9-19-12(16)3-6-22)10-20-13(17)4-7-23/h21-23H,2-10H2,1H3
    • InChI Key： NNLQLBLYOHQHCV-UHFFFAOYSA-N
    • SMILES： SCCC(=O)OCC(C)(COC(CCS)=O)COC(CCS)=O

Computed Properties

  • Exact Mass: 384.07400
  • Monoisotopic Mass: 384.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 15
  • Complexity: 334
  • 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
  • Topological Polar Surface Area: 81.9A^2
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.231
  • Boiling Point: 512.6°C at 760 mmHg
  • Flash Point: 396.8°C
  • Refractive Index: 1.526
  • PSA: 195.30000
  • LogP: 1.58200

Propanoic acid,3-mercapto-,1,1'-[2-[(3-mercapto-1-oxopropoxy)methyl]-2-methyl-1,3-propanediyl] ester Related Literature

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