Basic information
- CAS
929-44-2- Standard SMILES
CCCCCCCCCCCCCCCNCCSS(=O)(=O)O- InChIKey
KUDPDOZAPFSKPG-UHFFFAOYSA-N- Molecular formula
- C17H37NO3S2
- Average molar mass
- 367.6 g/mol
- Monoisotopic mass
- 367.22148604
Names & identifiers
- Preferred name
- Ethanethiol, 2-pentadecylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethylamino)pentadecane
- English name
- Thiosulfuric acid hydrogen S-[2-(pentadecylamino)ethyl] ester
- Molecular formula
- C17H37NO3S2
- Molecular weight
- 367.61
Names & synonyms
929-44-2Ethanethiol, 2-pentadecylamino-, hydrogen sulfate (ester)WR 2345BRN 23809962-Pentadecylaminoethanethiol hydrogen sulfate (ester)Thiosulfuric acid, S-(2-(pentadecylamino)ethyl) esterDTXSID50239186RefChem:340566DTXCID701616771-(2-sulfosulfanylethylamino)pentadecane2-Pentadecylaminoethanethiol hydrogen sulfate (ester), s-[2-(pentadecylamino)ethyl] hydrogen sulfurothioate, WR 2345, BRN 2380996, Thiosulfuric acid, S-(2-(pentadecylamino)ethyl) ester, Ethanethiol, 2-pentadecylamino-, hydrogen sulfate (ester), 929-44-2, AC1L2DNN, AC1Q6XQE, AR-1L3693, 1-(2-sulfosulfanylethylamino)pentadecane, LS-66059s-[2-(pentadecylamino)ethyl] hydrogen sulfurothioate
Show more names
Thiosulfuric acid hydrogen S-[2-(pentadecylamino)ethyl] ester
Database identifiers
- CAS
929-44-2- PubChem CID
- 70242
- DTXSID
DTXSID50239186- Nikkaji
- J49.782G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Density
- 1.049 · 1.049±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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