Basic information
- CAS
21224-42-0- Standard SMILES
O=S(=O)(O)SCCNCCCCOCCC1CCCCC1- InChIKey
IIZBQGHRUCATJY-UHFFFAOYSA-N- Molecular formula
- C14H29NO4S2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15380041
Names & identifiers
- Preferred name
- Ethanethiol, 2-((4-(2-cyclohexylethoxy)butyl)amino)-, hydrogen sulfate (ester)
- IUPAC
- 2-[4-(2-sulfosulfanylethylamino)butoxy]ethylcyclohexane
- English name
- 2-[[4-(2-Cyclohexylethoxy)butyl]amino]ethanethiol sulfate
- Molecular formula
- C14H29NO4S2
- Molecular weight
- 339.51
Names & synonyms
BRN 1993654S-2-(((4-Cyclohexylethoxy)butyl)amino)ethyl thiosulfate21224-42-02-((4-Cyclohexylethoxy)butylamino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-((4-(2-cyclohexylethoxy)butyl)amino)-, hydrogen sulfate (ester)RefChem:340285s-(2-{[4-(2-cyclohexylethoxy)butyl]amino}ethyl) hydrogen sulfurothioateDTXSID609436062-[[4-(2-Cyclohexylethoxy)butyl]amino]ethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[4-(2-cyclohexylethoxy)butyl]amino]ethyl] ester
Database identifiers
- CAS
21224-42-0- PubChem CID
- 210345
- DTXSID
DTXSID60943606- Nikkaji
- J77.505C
Properties
Computed structural properties
- XLogP
- 0.5
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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