Basic information
- CAS
21226-87-9- Standard SMILES
O=S(=O)(O)SCCNCCCCC1CCCC1- InChIKey
PRWJPOQKIBTJHA-UHFFFAOYSA-N- Molecular formula
- C11H23NO3S2
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.11193594
Names & identifiers
- Preferred name
- Ethanethiol, 2-(4-cyclopentylbutyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 4-(2-sulfosulfanylethylamino)butylcyclopentane
Names & synonyms
BRN 3055252S-2-((4-Cyclopentylbutyl)amino)ethyl thiosulfate21226-87-92-((4-Cyclopentylbutyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(4-cyclopentylbutyl)amino-, hydrogen sulfate (ester)RefChem:340455s-{2-[(4-cyclopentylbutyl)amino]ethyl} hydrogen sulfurothioateDTXSID90943639
Database identifiers
- CAS
21226-87-9- PubChem CID
- 210384
- DTXSID
DTXSID90943639- Nikkaji
- J77.529K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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