[1-Hydroxy-2-(2-sulfosulfanylethylamino)ethyl]benzene
Basic information
- CAS
56643-26-6- Standard SMILES
O=S(=O)(O)SCCNCC(O)c1ccccc1- InChIKey
CWSLMAYMBXJCSJ-UHFFFAOYSA-N- Molecular formula
- C10H15NO4S2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.04424996
Names & identifiers
- Preferred name
- [1-Hydroxy-2-(2-sulfosulfanylethylamino)ethyl]benzene
- IUPAC
- [1-hydroxy-2-(2-sulfosulfanylethylamino)ethyl]benzene
- English name
- S-(2-[(2-Hydroxy-2-phenylethyl)amino]ethyl) hydrogen thiosulfate
- Molecular formula
- C10H15NO4S2
- Molecular weight
- 277.36
Names & synonyms
[1-hydroxy-2-(2-sulfosulfanylethylamino)ethyl]benzene56643-26-6DTXSID10338008CWSLMAYMBXJCSJ-UHFFFAOYSA-NS-2-[.alpha.-Hydroxyphenethylamino]ethyl hydrogen thiosulfateS-(2-[(2-Hydroxy-2-phenylethyl)amino]ethyl) hydrogen thiosulfate #S-{2-[(2-Hydroxy-2-phenylethyl)amino]ethyl} hydrogen sulfurothioateS-(2-[(2-Hydroxy-2-phenylethyl)amino]ethyl) hydrogen thiosulfateThiosulfuric acid (H2S2O3), S-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl] ester
Database identifiers
- CAS
56643-26-6- PubChem CID
- 545873
- DTXSID
DTXSID10338008
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Density
- 1.424 · 1.424±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.423 · -4.423±0.30(predicted)
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Compound notes
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