CAS 117845-84-8

Benzenecarbothioic acid, S-(2-sulfoethyl) ester, sodium salt (1:1)

Description:

Benzenecarbothioic acid, S-(2-sulfoethyl) ester, sodium salt (1:1), with the CAS number 117845-84-8, is a chemical compound characterized by its sulfonate and thioester functional groups. This compound typically appears as a white to off-white solid and is soluble in water due to the presence of the sodium salt form, which enhances its ionic character. It is often used in biochemical applications, particularly in the synthesis of various organic compounds and as a reagent in chemical reactions. The presence of the sulfoethyl group suggests potential applications in surfactants or as a stabilizing agent in formulations. Additionally, the thioester moiety may impart unique reactivity, making it useful in nucleophilic substitution reactions. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken. Overall, this compound's unique structure and properties make it valuable in both research and industrial applications.

Formula: C₉H₉NaO₄S₂

InChI: InChI=1S/C9H10O4S2.Na/c10-9(8-4-2-1-3-5-8)14-6-7-15(11,12)13;/h1-5H,6-7H2,(H,11,12,13);

InChI key: InChIKey=MLLSWIJFHMDQAO-UHFFFAOYSA-N

SMILES: C(SCCS(=O)(=O)O)(=O)C1=CC=CC=C1.[Na]

Synonyms:

• Benzenecarbothioic acid, S-(2-sulfoethyl) ester, sodium salt (1:1)
• Benzenecarbothioic acid, S-(2-sulfoethyl) ester, sodium salt
• SODIUM BENZOYLTHIOETHANESULFONATE