3-Mercaptotyramine Hydrochloride
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Basic information
- CAS
37736-93-9- Standard SMILES
Cl.NCCc1ccc(O)c(S)c1- InChIKey
YPPBZPYBTMVFNW-UHFFFAOYSA-N- Molecular formula
- C8H12ClNOS
- Average molar mass
- 205.71 g/mol
- Monoisotopic mass
- 205.0328129
Names & identifiers
- Preferred name
- 3-Mercaptotyramine Hydrochloride
- IUPAC
- 4-(2-aminoethyl)-2-sulfanylphenol;hydrochloride
- English name
- 3-Mercaptotyramine Hydrochloride
- Molecular formula
- C8H12ClNOS
- Molecular weight
- 205.70498
Names & synonyms
3-Mercaptotyramine Hydrochloride37736-93-936504-84-44-(2-aminoethyl)-2-sulfanylphenol;hydrochloridePhenol,4-(2-aminoethyl)-2-mercapto-DB-3046694-(2-AMinoethyl)-2-Mercaptophenol Hydrochloride
Database identifiers
- CAS
37736-93-9- PubChem CID
- 71437312
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 182 · 182-185°C
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- soluble in Methanol, Water
- form
- Solid
- color
- Off White
- Stability
- Sensitive to Oxidation
Chemistry & industry
Applications
Uses3-Mercaptotyramine, the mercapto analog of dopamine, irreversibly inhibits the enzyme, catechol-O-methyltransferase, presumably by the formation of an SS bridge to a reactive mercapto group in the reactive site.
Related reactions
0 records
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Compound notes
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