Ethanethiol, 2-(2-cycloheptylethyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
21208-97-9- Standard SMILES
O=S(=O)(O)SCCNCCC1CCCCCC1- InChIKey
TXFMYQCGDMUXHF-UHFFFAOYSA-N- Molecular formula
- C11H23NO3S2
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.11193594
Names & identifiers
- Preferred name
- Ethanethiol, 2-(2-cycloheptylethyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 2-(2-sulfosulfanylethylamino)ethylcycloheptane
Names & synonyms
Ethanethiol, 2-(2-cycloheptylethyl)amino-, hydrogen sulfate (ester)21208-97-92-((2-Cycloheptylethyl)amino)ethanethiol hydrogen sulfate (ester)DTXSID90175433S-2-((2-Cycloheptylethyl)amino)ethyl thiosulfateRefChem:340355DTXCID8097924s-{2-[(2-cycloheptylethyl)amino]ethyl} hydrogen sulfurothioate
Database identifiers
- CAS
21208-97-9- PubChem CID
- 210276
- DTXSID
DTXSID90175433- Nikkaji
- J77.494D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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