CAS 7404-50-4

2-[(Aminoiminomethyl)thio]acetic acid

Description:

2-[(Aminoiminomethyl)thio]acetic acid, also known by its CAS number 7404-50-4, is an organic compound characterized by the presence of both amino and thio groups, which contribute to its reactivity and potential applications in various fields. This compound features a thioether functional group, which enhances its nucleophilicity, making it useful in synthetic organic chemistry. The amino group provides basicity and the ability to form hydrogen bonds, influencing its solubility and interaction with other molecules. Typically, this substance is a white to off-white solid, soluble in water due to the presence of polar functional groups. Its structure allows for potential applications in pharmaceuticals, agrochemicals, and as a biochemical reagent. Additionally, the compound may exhibit biological activity, which can be explored in medicinal chemistry. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper laboratory practices are followed.

Formula: C₃H₆N₂O₂S

InChI: InChI=1S/C3H6N2O2S/c4-3(5)8-1-2(6)7/h1H2,(H3,4,5)(H,6,7)

InChI key: InChIKey=BWUNQEXPLIAUOU-UHFFFAOYSA-N

SMILES: C(SC(=N)N)C(O)=O

Synonyms:

• Acetic acid, [(aminoiminomethyl)thio]-
• Acetic acid, (amidinothio)-
• Acetic acid, 2-[(aminoiminomethyl)thio]-
• S-(Carboxymethyl)isothiourea
• 2-[(Aminoiminomethyl)thio]acetic acid