Ethanethiol, 2-(4-(2,6-xylyloxy)butyl)amino-, hydrogen sulfate (ester)
1,3-dimethyl-2-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Also Known As: S-2-((4-(2,6-Xylyloxy)butyl)amino)ethyl thiosulfate|2-[4-(2,6-Xylyloxy)butyl]aminoethanethiol sulfate|1,3-dimethyl-2-[4-(2-sulfosulfanylethylamino)butoxy]benzene|2-((4-(2,6-Xylyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)|Ethanethiol, 2-(4-(2,6-xylyloxy)butyl)amino-, hydrogen sulfate (ester)|s-(2-{[4-(2,6-dimethylphenoxy)butyl]amino}ethyl) hydrogen sulfurothioate|[(2-{[4-(2,6-dimethylphenoxy)butyl]amino}ethyl)sulfanyl]sulfonic acid|Thiosulfuric acid (H2S2O3), S-[2-[[4-(2,6-dimethylphenoxy)butyl]amino]ethyl] ester
| Molecular Formula | C14H23NO4S2 |
|---|---|
| Molecular Weight | 333.10684 g/mol |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 333.10684 |
| Monoisotopic Mass | 333.10684 |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 21902-82-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCCCCNCCSS(=O)(=O)O |
| InChIKey | PAZPQHOQBVNIIB-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(4-(2,6-xylyloxy)butyl)amino-, hydrogen sulfate (ester) (CAS 21902-82-9), with molecular formula C14H23NO4S2 and molecular weight 333.10684 g/mol. IUPAC: 1,3-dimethyl-2-[4-(2-sulfosulfanylethylamino)butoxy]benzene.