Basic information
- CAS
21209-09-6- Standard SMILES
O=S(=O)(O)SCCNCCCCCCC1CCCCC1- InChIKey
CRVGRZWCBHASOC-UHFFFAOYSA-N- Molecular formula
- C14H29NO3S2
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.15888613
Names & identifiers
- Preferred name
- Ethanethiol, 2-(6-cyclohexylhexyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 6-(2-sulfosulfanylethylamino)hexylcyclohexane
Names & synonyms
BRN 2982753Ethanethiol, 2-(6-cyclohexylhexyl)amino-, hydrogen sulfate (ester)21209-09-6DTXSID30175437S-2-((6-Cyclohexylhexyl)amino)ethyl thiosulfate2-((6-Cyclohexylhexyl)amino)ethanethiol hydrogen sulfate (ester)RefChem:340509DTXCID8097928s-{2-[(6-cyclohexylhexyl)amino]ethyl} hydrogen sulfurothioate
Database identifiers
- CAS
21209-09-6- PubChem CID
- 210285
- DTXSID
DTXSID30175437- Nikkaji
- J77.509F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…