Ethanethiol, 2-((3-(cyclohexyloxy)propyl)amino)-, hydrogen sulfate (ester)
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Basic information
- CAS
21209-22-3- Standard SMILES
O=S(=O)(O)SCCNCCCOC1CCCCC1- InChIKey
GXICQHUSQVYANA-UHFFFAOYSA-N- Molecular formula
- C11H23NO4S2
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.10685022
Names & identifiers
- Preferred name
- Ethanethiol, 2-((3-(cyclohexyloxy)propyl)amino)-, hydrogen sulfate (ester)
- IUPAC
- 3-(2-sulfosulfanylethylamino)propoxycyclohexane
- English name
- 2-[[3-(Cyclohexyloxy)propyl]amino]ethanethiol sulfate
- Molecular formula
- C11H23NO4S2
- Molecular weight
- 297.43
Names & synonyms
Ethanethiol, 2-((3-(cyclohexyloxy)propyl)amino)-, hydrogen sulfate (ester)21209-22-3DTXSID901754382-((3-Cyclohexyloxypropyl)amino)ethanethiol hydrogen sulfate (ester)S-2-(((3-Cyclohexyloxy)propyl)amino)ethyl thiosulfateRefChem:340271DTXCID3097929s-(2-{[3-(cyclohexyloxy)propyl]amino}ethyl) hydrogen sulfurothioate2-[[3-(Cyclohexyloxy)propyl]amino]ethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[3-(cyclohexyloxy)propyl]amino]ethyl] ester
Database identifiers
- CAS
21209-22-3- PubChem CID
- 210295
- DTXSID
DTXSID90175438- Nikkaji
- J77.517G
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Density
- 1.25 · 1.25±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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