Basic information
- CAS
38914-41-9- Standard SMILES
CCC(CN(CC)CCSS(=O)(=O)O)C1CCCCC1- InChIKey
RGUGEMMPDGOYNQ-UHFFFAOYSA-N- Molecular formula
- C14H29NO3S2
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.15888579
Names & identifiers
- Preferred name
- Ethanethiol, 2-(N-(2-cyclohexylbutyl)-N-ethylamino)-, hydrogen sulfate (ester)
- IUPAC
- 1-[ethyl(2-sulfosulfanylethyl)amino]butan-2-ylcyclohexane
- English name
- Thiosulfuric acid hydrogen S-[2-[(2-cyclohexylbutyl)ethylamino]ethyl] ester
- Molecular formula
- C14H29NO3S2
- Molecular weight
- 323.52
Names & synonyms
BRN 298415738914-41-92-(N-(2-Cyclohexylbutyl)-N-ethylamino)ethanethiol, hydrogen sulfate (ester)Ethanethiol, 2-(N-(2-cyclohexylbutyl)-N-ethylamino)-, hydrogen sulfate (ester)RefChem:340540s-{2-[(2-cyclohexylbutyl)(ethyl)amino]ethyl} hydrogen sulfurothioateDTXSID10959691Thiosulfuric acid hydrogen S-[2-[(2-cyclohexylbutyl)ethylamino]ethyl] esterThiosulfuric acid (H2S2O3), S-[2-[(2-cyclohexylbutyl)ethylamino]ethyl] ester
Database identifiers
- CAS
38914-41-9- PubChem CID
- 217428
- DTXSID
DTXSID10959691- Nikkaji
- J49.724J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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