Basic information
- CAS
21220-86-0- Standard SMILES
COCCCCNCCSS(=O)(=O)O- InChIKey
NCYUFRZUYNDRSP-UHFFFAOYSA-N- Molecular formula
- C7H17NO4S2
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.05990037
Names & identifiers
- Preferred name
- Ethanethiol, 2-(4-methoxybutyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 1-methoxy-4-(2-sulfosulfanylethylamino)butane
Names & synonyms
BRN 3049317S-2-((4-Methoxybutyl)amino)ethyl thiosulfate21220-86-02-((4-Methoxybutyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(4-methoxybutyl)amino-, hydrogen sulfate (ester)RefChem:340457s-{2-[(4-methoxybutyl)amino]ethyl} hydrogen sulfurothioateDTXSID90943593
Database identifiers
- CAS
21220-86-0- PubChem CID
- 210313
- DTXSID
DTXSID90943593- Nikkaji
- J87.772G
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…