Basic information
- CAS
21220-93-9- Standard SMILES
COCCCCCCCCNCCSS(=O)(=O)O- InChIKey
DWXMWEXVGKTPSE-UHFFFAOYSA-N- Molecular formula
- C11H25NO4S2
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.12250063
Names & identifiers
- Preferred name
- Ethanethiol, 2-(8-methoxyoctyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 1-methoxy-8-(2-sulfosulfanylethylamino)octane
- English name
- 2-(8-Methoxyoctyl)aminoethanethiol sulfate
- Molecular formula
- C11H25NO4S2
- Molecular weight
- 299.45
Names & synonyms
BRN 305356821220-93-9S-2-((8-Methoxyoctyl)amino)ethyl thiosulfate2-((8-Methoxyoctyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(8-methoxyoctyl)amino-, hydrogen sulfate (ester)RefChem:340520s-{2-[(8-methoxyoctyl)amino]ethyl} hydrogen sulfurothioateDTXSID509435992-(8-Methoxyoctyl)aminoethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[(8-methoxyoctyl)amino]ethyl] ester
Database identifiers
- CAS
21220-93-9- PubChem CID
- 210334
- DTXSID
DTXSID50943599- Nikkaji
- J87.777H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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