Ethanethiol, 2-(8-cyclopentyloctyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
21209-15-4- Standard SMILES
O=S(=O)(O)SCCNCCCCCCCCC1CCCC1- InChIKey
NXVFZGHFKDAOFL-UHFFFAOYSA-N- Molecular formula
- C15H31NO3S2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.1745362
Names & identifiers
- Preferred name
- Ethanethiol, 2-(8-cyclopentyloctyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 8-(2-sulfosulfanylethylamino)octylcyclopentane
Names & synonyms
BRN 3059887S-2-((8-Cyclopentyloctyl)amino)ethyl thiosulfate21209-15-42-((8-Cyclopentyloctyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(8-cyclopentyloctyl)amino-, hydrogen sulfate (ester)RefChem:340518s-{2-[(8-cyclopentyloctyl)amino]ethyl} hydrogen sulfurothioateDTXSID40943568
Database identifiers
- CAS
21209-15-4- PubChem CID
- 210291
- DTXSID
DTXSID40943568- Nikkaji
- J77.532K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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