Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCNCCSS(=O)(=O)O- InChIKey
NOAOISNWUKHGKB-UHFFFAOYSA-N- Molecular formula
- C19H41NO3S2
- Average molar mass
- 395.7 g/mol
- Monoisotopic mass
- 395.25278617
Names & identifiers
- Preferred name
- Ethanethiol, 2-heptadecylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethylamino)heptadecane
- English name
- Thiosulfuric acid hydrogen S-[2-(heptadecylamino)ethyl] ester
- Molecular formula
- C19H41NO3S2
- Molecular weight
- 395.67
Names & synonyms
929-46-4Ethanethiol, 2-heptadecylamino-, hydrogen sulfate (ester)BRN 23840242-Heptadecylaminoethanethiol hydrogen sulfate (ester)DTXSID70239188RefChem:340554DTXCID90161679s-[2-(heptadecylamino)ethyl] hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-(heptadecylamino)ethyl] ester
Database identifiers
- CAS
929-46-4- PubChem CID
- 70244
- DTXSID
DTXSID70239188- Nikkaji
- J49.748G
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 20
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Density
- 1.032 · 1.032±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
Loading…