Basic information
- CAS
21224-41-9- Standard SMILES
O=S(=O)(O)SCCNCCCCCOCC1CCCCC1- InChIKey
UYMVJGHGINEMTJ-UHFFFAOYSA-N- Molecular formula
- C14H29NO4S2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15380041
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-(cyclohexylmethoxy)pentyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 5-(2-sulfosulfanylethylamino)pentoxymethylcyclohexane
- English name
- 2-[5-(Cyclohexylmethoxy)pentyl]aminoethanethiol sulfate
- Molecular formula
- C14H29NO4S2
- Molecular weight
- 339.51
Names & synonyms
BRN 1993656S-2-(((5-Cyclohexylmethoxy)pentyl)amino)ethyl thiosulfate21224-41-92-(((5-Cyclohexylmethoxy)pentyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(5-(cyclohexylmethoxy)pentyl)amino-, hydrogen sulfate (ester)RefChem:340491s-(2-{[5-(cyclohexylmethoxy)pentyl]amino}ethyl) hydrogen sulfurothioateDTXSID009436052-[5-(Cyclohexylmethoxy)pentyl]aminoethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[5-(cyclohexylmethoxy)pentyl]amino]ethyl] ester
Database identifiers
- CAS
21224-41-9- PubChem CID
- 210344
- DTXSID
DTXSID00943605- Nikkaji
- J77.510J
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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