Basic information
- CAS
21306-62-7- Standard SMILES
O=S(=O)(O)SCCNCCCCCCCCCO- InChIKey
RFBZMIKSEGRCBT-UHFFFAOYSA-N- Molecular formula
- C11H25NO4S2
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.12250063
Names & identifiers
- Preferred name
- Ethanethiol, 2-(9-hydroxynonyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 1-hydroxy-9-(2-sulfosulfanylethylamino)nonane
Names & synonyms
BRN 305356921306-62-7Ethanethiol, 2-(9-hydroxynonyl)amino-, hydrogen sulfate (ester)S-2-((9-Hydroxynonyl)amino)ethyl thiosulfateDTXSID501755702-((9-Hydroxynonyl)amino)ethanethiol hydrogen sulfate (ester)RefChem:340522DTXCID4098061S-{2-[(9-hydroxynonyl)amino]ethyl} hydrogen thiosulfateS-2-[(9-Hydroxynonyl)amino]ethyl hydrogen sulfurothioate
Database identifiers
- CAS
21306-62-7- PubChem CID
- 210571
- DTXSID
DTXSID50175570- Nikkaji
- J87.762J
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- 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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