Propanoic acid, 2,2'-dithiobis-


Chemical Name: Propanoic acid, 2,2'-dithiobis-
CAS Number: 4775-93-3
Product Number: AG003FCB(AGN-PC-0414J4)
Synonyms:
MDL No:
Molecular Formula: C6H10O4S2
Molecular Weight: 210.2712

Identification/Properties


Properties
MP:
117.5℃
BP:
382.3°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.4950 (estimate)
Computed Properties
Molecular Weight:
210.262g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
210.002g/mol
Monoisotopic Mass:
210.002g/mol
Topological Polar Surface Area:
125A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
162
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2,2'-Disulfanediyldipropanoic acid, also known as dimercaptopropanoic acid, plays a crucial role in chemical synthesis as a versatile building block for various organic reactions. With its unique structure containing two thiol functional groups, this compound is widely used as a thiolating agent in the modification of proteins, peptides, and other biomolecules. It is particularly valuable in the synthesis of thioesters, disulfides, and thioethers through reactions with other functional groups such as carboxylic acids and halides. Additionally, 2,2'-Disulfanediyldipropanoic acid is utilized in the preparation of coordination complexes and metal chelating agents due to its ability to coordinate with metal ions via its sulfur atoms, forming stable complexes. Furthermore, this compound serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials with specific properties, highlighting its importance in modern chemical research and development.