Ethanethiol, 2-((6-(cyclohexyloxy)hexyl)amino)-, hydrogen sulfate (ester)
Basic information
- CAS
21224-40-8- Standard SMILES
O=S(=O)(O)SCCNCCCCCCOC1CCCCC1- InChIKey
FJZJCKXNENOSSF-UHFFFAOYSA-N- Molecular formula
- C14H29NO4S2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15380041
Names & identifiers
- Preferred name
- Ethanethiol, 2-((6-(cyclohexyloxy)hexyl)amino)-, hydrogen sulfate (ester)
- IUPAC
- 6-(2-sulfosulfanylethylamino)hexoxycyclohexane
- English name
- 2-[[6-(Cyclohexyloxy)hexyl]amino]ethanethiol sulfate
- Molecular formula
- C14H29NO4S2
- Molecular weight
- 339.51
Names & synonyms
21224-40-8Ethanethiol, 2-((6-(cyclohexyloxy)hexyl)amino)-, hydrogen sulfate (ester)DTXSID601754602-(((6-Cyclohexyloxy)hexyl)amino)ethanethiol hydrogen sulfate (ester)S-2-(((6-Cyclohexyloxy)hexyl)amino)ethyl thiosulfateRefChem:340315DTXCID5097951s-(2-{[6-(cyclohexyloxy)hexyl]amino}ethyl) hydrogen sulfurothioate2-[[6-(Cyclohexyloxy)hexyl]amino]ethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[6-(cyclohexyloxy)hexyl]amino]ethyl] ester
Database identifiers
- CAS
21224-40-8- PubChem CID
- 210343
- DTXSID
DTXSID60175460- Nikkaji
- J77.514B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- -4.41 · -4.41±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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