Basic information
- Standard SMILES
CCCCCCCCCNCCSS(=O)(=O)O- InChIKey
RLZLGGSREJEDMI-UHFFFAOYSA-N- Molecular formula
- C11H25NO3S2
- Average molar mass
- 283.5 g/mol
- Monoisotopic mass
- 283.12758566
Names & identifiers
- Preferred name
- Ethanethiol, 2-nonylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethylamino)nonane
- English name
- Thiosulfuric acid hydrogen S-(2-nonylaminoethyl) ester
- Molecular formula
- C11H25NO3S2
- Molecular weight
- 283.45
Names & synonyms
1921-44-42-Nonylaminoethanethiol hydrogen sulfate (ester)BRN 2368353Ethanethiol, 2-nonylamino-, hydrogen sulfate (ester)RefChem:3405621-(2-sulfosulfanylethylamino)nonanes-[2-(nonylamino)ethyl] hydrogen sulfurothioateThiosulfuric acid hydrogen S-(2-nonylaminoethyl) esterDTXSID60940857
Database identifiers
- CAS
1921-44-4- PubChem CID
- 74719
- DTXSID
DTXSID60940857- Nikkaji
- J49.774F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Density
- 1.127 · 1.127±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.
Linked notes
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