Cas no 851788-19-7 (2-{(dimethylcarbamoyl)methylsulfanyl}acetic acid)

2-{(Dimethylcarbamoyl)methylsulfanyl}acetic acid is a versatile organosulfur compound featuring a carbamoyl-functionalized thioether linkage. Its molecular structure, incorporating both a dimethylcarbamoyl group and a sulfanylacetic acid moiety, lends it utility in organic synthesis and coordination chemistry. The compound’s reactive thioether and carboxylic acid functionalities enable its use as a building block for derivatization or as a ligand in metal complexation. Its stability under ambient conditions and solubility in polar organic solvents further enhance its practicality in research and industrial applications. This compound is particularly valued for its potential in pharmaceutical intermediates and agrochemical synthesis due to its bifunctional reactivity.
2-{(dimethylcarbamoyl)methylsulfanyl}acetic acid structure
851788-19-7 structure
Product Name:2-{(dimethylcarbamoyl)methylsulfanyl}acetic acid
CAS No:851788-19-7
MF:C6H11NO3S
MW:177.221440553665
CID:3107877
PubChem ID:2496512
Update Time:2025-05-22

2-{(dimethylcarbamoyl)methylsulfanyl}acetic acid Chemical and Physical Properties

Names and Identifiers

    • {[2-(dimethylamino)-2-oxoethyl]thio}acetic acid
    • CS-0224854
    • 2-{[(dimethylcarbamoyl)methyl]sulfanyl}aceticacid
    • 2-{[(dimethylcarbamoyl)methyl]sulfanyl}acetic acid
    • 2-[2-(dimethylamino)-2-oxoethyl]sulfanylacetic acid
    • BJB78819
    • AKOS000264355
    • EN300-12139
    • 851788-19-7
    • Z19691172
    • 2-{(dimethylcarbamoyl)methylsulfanyl}acetic acid
    • Inchi: 1S/C6H11NO3S/c1-7(2)5(8)3-11-4-6(9)10/h3-4H2,1-2H3,(H,9,10)
    • InChI Key: KVGTZQOYZFOSGL-UHFFFAOYSA-N
    • SMILES: S(CC(=O)O)CC(N(C)C)=O

Computed Properties

  • Exact Mass: 177.04596439Da
  • Monoisotopic Mass: 177.04596439Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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: 0
  • Topological Polar Surface Area: 82.9?2

2-{(dimethylcarbamoyl)methylsulfanyl}acetic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D481908-50mg
2-{[(dimethylcarbamoyl)methyl]sulfanyl}acetic acid
851788-19-7
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$ 50.00 2022-06-05
TRC
D481908-100mg
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$ 95.00 2022-06-05
TRC
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$ 320.00 2022-06-05
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Enamine
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