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CAS 2061996-54-9

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Benzeneethanol, β-amino-3-(methylthio)-, hydrochloride (1:1), (βS)-

Description:
Benzeneethanol, β-amino-3-(methylthio)-, hydrochloride (1:1), (βS)-, with the CAS number 2061996-54-9, is a chemical compound characterized by its structural features that include a benzene ring, an ethanol moiety, and a β-amino group with a methylthio substituent. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and facilitates its use in various applications, particularly in pharmaceutical contexts. The presence of the β-amino group suggests potential biological activity, as amino alcohols often play roles in neurotransmission and other physiological processes. The methylthio group may influence the compound's reactivity and interaction with biological targets. As a chiral molecule, it exists in specific stereoisomeric forms, with the (βS)- designation indicating the configuration of the chiral center. Overall, this compound's unique combination of functional groups and stereochemistry may contribute to its potential utility in medicinal chemistry and related fields.
Formula:C9H13NOS·ClH
InChI:InChI=1S/C9H13NOS.ClH/c1-12-8-4-2-3-7(5-8)9(10)6-11;/h2-5,9,11H,6,10H2,1H3;1H/t9-;/m1./s1
InChI key:InChIKey=FAKQQESIYANEIA-SBSPUUFOSA-N
SMILES:[C@H](CO)(N)C1=CC(SC)=CC=C1.Cl
Synonyms:
  • Benzeneethanol, β-amino-3-(methylthio)-, hydrochloride (1:1), (βS)-
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