Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester
(2-amino-1-sulfosulfanylethyl)benzene
Also Known As: WR 769|1-Phenyl-2-aminoethylthiosulfuric acid|(2-amino-1-sulfosulfanylethyl)benzene|Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester|Thiosulfuric acid, S-(2-amino-1-phenylethyl) ester|S-(2-Amino-1-phenylethyl) hydrogen sulfurothioate|alpha-Toluenethiol, alpha-(aminomethyl)-, hydrogen sulfate
CAS: 2218-01-1
| Molecular Formula | C8H11NO3S2 |
|---|---|
| Molecular Weight | 233.01804 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.01804 |
| Monoisotopic Mass | 233.01804 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 2218-01-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CN)SS(=O)(=O)O |
| InChIKey | MWCUFZKVASOIHQ-UHFFFAOYSA-N |
Product Overview
Thiosulfuric acid, S-(alpha-(aminomethyl)benzyl) ester (CAS 2218-01-1), with molecular formula C8H11NO3S2 and molecular weight 233.01804 g/mol. IUPAC: (2-amino-1-sulfosulfanylethyl)benzene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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