Basic information
- CAS
21208-79-7- Standard SMILES
O=S(=O)(O)SCCNCCCCOC1CCCCCCC1- InChIKey
CODSRKOGTHGIQH-UHFFFAOYSA-N- Molecular formula
- C14H29NO4S2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.15380075
Names & identifiers
- Preferred name
- Ethanethiol, 2-((4-cyclooctyloxy)butyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 4-(2-sulfosulfanylethylamino)butoxycyclooctane
- English name
- 2-[4-(Cyclooctyloxy)butyl]aminoethanethiol sulfate
- Molecular formula
- C14H29NO4S2
- Molecular weight
- 339.51
Names & synonyms
BRN 199230021208-79-7S-2-(((4-Cyclooctyloxy)butyl)amino)ethyl thiosulfate2-(((4-Cyclooctyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-((4-cyclooctyloxy)butyl)amino-, hydrogen sulfate (ester)RefChem:340307s-(2-{[4-(cyclooctyloxy)butyl]amino}ethyl) hydrogen sulfurothioateDTXSID809435472-[4-(Cyclooctyloxy)butyl]aminoethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[4-(cyclooctyloxy)butyl]amino]ethyl] ester
Database identifiers
- CAS
21208-79-7- PubChem CID
- 210264
- DTXSID
DTXSID80943547- Nikkaji
- J77.527D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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