Ethanethiol, 2-(7-cyclopentylheptyl)amino-, hydrogen sulfate (ester)
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Basic information
- CAS
21209-08-5- Standard SMILES
O=S(=O)(O)SCCNCCCCCCCC1CCCC1- InChIKey
AUYGGAVPNCGUSB-UHFFFAOYSA-N- Molecular formula
- C14H29NO3S2
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.15888579
Names & identifiers
- Preferred name
- Ethanethiol, 2-(7-cyclopentylheptyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 7-(2-sulfosulfanylethylamino)heptylcyclopentane
- English name
- 2-(7-Cyclopentylheptyl)aminoethanethiol sulfate
- Molecular formula
- C14H29NO3S2
- Molecular weight
- 323.52
Names & synonyms
BRN 3058340S-2-((7-Cyclopentylheptyl)amino)ethyl thiosulfate21209-08-52-((7-Cyclopentylheptyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(7-cyclopentylheptyl)amino-, hydrogen sulfate (ester)RefChem:340515s-{2-[(7-cyclopentylheptyl)amino]ethyl} hydrogen sulfurothioateDTXSID809435622-(7-Cyclopentylheptyl)aminoethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[(7-cyclopentylheptyl)amino]ethyl] ester
Database identifiers
- CAS
21209-08-5- PubChem CID
- 210284
- DTXSID
DTXSID80943562- Nikkaji
- J77.530D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
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Compound notes
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