Basic information
- CAS
21220-89-3- Standard SMILES
O=S(O)(=S)OCCNCCCO[C@H]1CCCCO1- InChIKey
AYQPJCKAOYYPAN-JTQLQIEISA-N- Molecular formula
- C10H21NO5S2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.08611477
Names & identifiers
- Preferred name
- Ethanethiol, 2-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)amino-, hydrogen sulfate (ester)
- IUPAC
- N-(2-hydroxysulfonothioyloxyethyl)-3-[(2S)-oxan-2-yl]oxypropan-1-amine
- English name
- 2-[3-(Tetrahydro-2H-pyran-2-yloxy)propyl]aminoethanethiol sulfate
- Molecular formula
- C10H21NO5S2
- Molecular weight
- 299.41
Names & synonyms
S-2-((3-(Tetrahydro-2H-pyran-2-yloxy)propyl)amino)ethyl thiosulfate2-((3-(Tetrahydro-2H-pyran-2-yloxy)propyl)amino)ethanethiol hydrogen sulfate (ester)21220-89-3Ethanethiol, 2-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)amino-, hydrogen sulfate (ester)RefChem:340394DTXSID10943595O-[2-({3-[(Oxan-2-yl)oxy]propyl}amino)ethyl] hydrogen sulfurothioateO-{2-[(3-{[(2S)-Oxan-2-yl]oxy}propyl)amino]ethyl} hydrogen sulfurothioate2-[3-(Tetrahydro-2H-pyran-2-yloxy)propyl]aminoethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[3-[(tetrahydro-2H-pyran-2-yl)oxy]propyl]amino]ethyl] ester
Database identifiers
- CAS
21220-89-3- PubChem CID
- 210315
- DTXSID
DTXSID10943595
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…