Ethanethiol, 2-((5-cycloheptyloxy)pentylamino)-, hydrogen sulfate (ester)
Basic information
- CAS
21224-45-3- Standard SMILES
O=S(=O)(O)SCCNCCCCCOC1CCCCCC1- InChIKey
WSQGOWIPESTIOY-UHFFFAOYSA-N- Molecular formula
- C14H29NO4S2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15380075
Names & identifiers
- Preferred name
- Ethanethiol, 2-((5-cycloheptyloxy)pentylamino)-, hydrogen sulfate (ester)
- IUPAC
- 5-(2-sulfosulfanylethylamino)pentoxycycloheptane
- English name
- 2-[(5-Cycloheptyloxypentyl)amino]ethanethiol sulfate
- Molecular formula
- C14H29NO4S2
- Molecular weight
- 339.51
Names & synonyms
21224-45-3BRN 1992297S-2-(((5-Cycloheptyloxy)pentyl)amino)ethyl thiosulfate2-((5-Cycloheptyloxy)pentylamino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-((5-cycloheptyloxy)pentylamino)-, hydrogen sulfate (ester)RefChem:340312s-(2-{[5-(cycloheptyloxy)pentyl]amino}ethyl) hydrogen sulfurothioateDTXSID209436072-[(5-Cycloheptyloxypentyl)amino]ethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[5-(cycloheptyloxy)pentyl]amino]ethyl] ester
Database identifiers
- CAS
21224-45-3- PubChem CID
- 210346
- DTXSID
DTXSID20943607- Nikkaji
- J77.497I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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