Basic information
- Standard SMILES
CCCCCCCCCCCCCNCCSS(=O)(=O)O- InChIKey
MDCFFJPIOHVMNO-UHFFFAOYSA-N- Molecular formula
- C15H33NO3S2
- Average molar mass
- 339.6 g/mol
- Monoisotopic mass
- 339.19018592
Names & identifiers
- Preferred name
- Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethylamino)tridecane
- English name
- Thiosulfuric acid hydrogen S-[2-(tridecylamino)ethyl] ester
- Molecular formula
- C15H33NO3S2
- Molecular weight
- 339.56
Names & synonyms
929-41-9WR 2236BRN 23767602-Tridecylaminoethanethiol hydrogen sulfate (ester)Thiosulfuric acid, S-(2-(tridecylamino)ethyl) esterEthanethiol, 2-tridecylamino-, hydrogen sulfate (ester)RefChem:340575s-[2-(tridecylamino)ethyl] hydrogen sulfurothioateDTXSID30918907Thiosulfuric acid hydrogen S-[2-(tridecylamino)ethyl] ester
Database identifiers
- CAS
929-41-9- PubChem CID
- 70240
- DTXSID
DTXSID30918907- Nikkaji
- J49.801G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Density
- 1.07 · 1.070±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.405 · -4.405±0.30(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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