Basic information
- CAS
929-43-1- Standard SMILES
CCCCCCCCCCCCCCNCCSS(=O)(=O)O- InChIKey
FHYXHYXRWQFHHO-UHFFFAOYSA-N- Molecular formula
- C16H35NO3S2
- Average molar mass
- 353.6 g/mol
- Monoisotopic mass
- 353.20583598
Names & identifiers
- Preferred name
- Ethanethiol, 2-tetradecylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethylamino)tetradecane
- English name
- Thiosulfuric acid hydrogen S-[2-(tetradecylamino)ethyl] ester
- Molecular formula
- C16H35NO3S2
- Molecular weight
- 353.59
Names & synonyms
Ethanethiol, 2-tetradecylamino-, hydrogen sulfate (ester)BRN 23784452-Tetradecylaminoethanethiol hydrogen sulfate (ester)929-43-1DTXSID90239185RefChem:340574DTXCID10161676s-[2-(tetradecylamino)ethyl] hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-(tetradecylamino)ethyl] ester
Database identifiers
- CAS
929-43-1- PubChem CID
- 70241
- DTXSID
DTXSID90239185- Nikkaji
- J49.799A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Density
- 1.059 · 1.059±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.405 · -4.405±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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