Ethanesulfonic acid, 2-[(aminoiminomethyl)thio]-


Chemical Name: Ethanesulfonic acid, 2-[(aminoiminomethyl)thio]-
CAS Number: 25985-57-3
Product Number: AG00BE0I(AGN-PC-0O8CZW)
Synonyms:
MDL No:
Molecular Formula: C3H8N2O3S2
Molecular Weight: 184.2372

Identification/Properties


Computed Properties
Molecular Weight:
184.228g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
183.998g/mol
Monoisotopic Mass:
183.998g/mol
Topological Polar Surface Area:
138A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
204
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(Carbamimidoylthio)ethanesulfonic acid is a versatile compound often used in chemical synthesis as a key reagent. Its unique properties make it an essential component in the creation of various organic compounds with diverse functionalities. In chemical synthesis, this compound serves as a valuable reagent for introducing the carbamimidoylthio group into target molecules, thereby enabling the synthesis of complex organic structures. Additionally, its sulfonic acid moiety provides a means for introducing polarity and enhancing solubility, making it a useful tool for modifying the physicochemical properties of organic compounds. With its broad applicability and efficacy in diverse chemical transformations, 2-(Carbamimidoylthio)ethanesulfonic acid plays a crucial role in advancing synthetic methodologies and facilitating the development of novel molecules for various applications in the fields of pharmaceuticals, materials science, and beyond.