Basic information
- CAS
21220-91-7- Standard SMILES
O=S(=O)(O)SCCNCCCCCCCCO- InChIKey
UCIFAGKIWXLTLM-UHFFFAOYSA-N- Molecular formula
- C10H23NO4S2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.10685056
Names & identifiers
- Preferred name
- Ethanethiol, 2-(8-hydroxyoctyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 1-hydroxy-8-(2-sulfosulfanylethylamino)octane
Names & synonyms
BRN 3052887S-2-((8-Hydroxyoctyl)amino)ethyl thiosulfate21220-91-72-((8-Hydroxyoctyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(8-hydroxyoctyl)amino-, hydrogen sulfate (ester)RefChem:340519s-{2-[(8-hydroxyoctyl)amino]ethyl} hydrogen sulfurothioateDTXSID30943597S-2-[(8-Hydroxyoctyl)amino]ethyl hydrogen sulfurothioate
Database identifiers
- CAS
21220-91-7- PubChem CID
- 210317
- DTXSID
DTXSID30943597- Nikkaji
- J87.764F
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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