Basic information
- CAS
23545-58-6- Standard SMILES
Br.NCCCCCCNCCSS(=O)(=O)O- InChIKey
NMJLIXOMSLNUGE-UHFFFAOYSA-N- Molecular formula
- C8H21BrN2O3S2
- Average molar mass
- 337.3 g/mol
- Monoisotopic mass
- 336.0177
Names & identifiers
- Preferred name
- Ethanethiol, 2-((6-aminohexyl)amino)-, hydrogen sulfate (ester), hydrobromide
- IUPAC
- 1-amino-6-(2-sulfosulfanylethylamino)hexane;hydrobromide
Names & synonyms
S-2-((6-Aminohexyl)amino)ethyl hydrogen thiosulfate hydrobromide23545-58-6Ethanethiol, 2-((6-aminohexyl)amino)-, hydrogen sulfate (ester), hydrobromideDTXSID20178134Thiosulfuric acid, S-(2-((6-aminohexyl)amino)ethyl) ester, hydrobromideRefChem:340317DTXCID50100625S-{2-[(6-Aminohexyl)amino]ethyl} hydrogen sulfurothioate--hydrogen bromide (1/1)
Database identifiers
- CAS
23545-58-6- PubChem CID
- 90147
- DTXSID
DTXSID20178134
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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