Ethanethiol, 2-(5-(o-tolyloxy)pentyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
21208-85-5- Standard SMILES
Cc1ccccc1OCCCCCNCCSS(=O)(=O)O- InChIKey
WILBNOWMRYQMQY-UHFFFAOYSA-N- Molecular formula
- C14H23NO4S2
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.10685056
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(o-tolyloxy)pentyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 1-methyl-2-[5-(2-sulfosulfanylethylamino)pentoxy]benzene
- English name
- 2-[5-(o-Tolyloxy)pentyl]aminoethanethiol sulfate
- Molecular formula
- C14H23NO4S2
- Molecular weight
- 333.47
Names & synonyms
WR 4546BRN 2151575S-2-((5-(o-Tolyloxy)pentyl)amino)ethyl thiosulfate21208-85-5Ethanethiol, 2-((5-(o-tolyloxy)pentyl)amino)-, hydrogen sulfateThiosulfuric acid, S-(2-((5-(o-tolyloxy)pentyl)amino)ethyl) ester2-((5-(o-Tolyloxy)pentyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(5-(o-tolyloxy)pentyl)amino-, hydrogen sulfate (ester)RefChem:340492s-(2-{[5-(2-methylphenoxy)pentyl]amino}ethyl) hydrogen sulfurothioateDTXSID109435502-[5-(o-Tolyloxy)pentyl]aminoethanethiol sulfate
Show more names
Thiosulfuric acid (H2S2O3), S-[2-[[5-(2-methylphenoxy)pentyl]amino]ethyl] ester
Database identifiers
- CAS
21208-85-5- PubChem CID
- 210267
- DTXSID
DTXSID10943550- Nikkaji
- J87.829D
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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