Basic information
- CAS
21209-14-3- Standard SMILES
O=S(=O)(O)SCCNCCCCCC1CCCCCC1- InChIKey
AAAABHINRQIFEK-UHFFFAOYSA-N- Molecular formula
- C14H29NO3S2
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.15888579
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-cycloheptylpentyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 5-(2-sulfosulfanylethylamino)pentylcycloheptane
- English name
- 2-(5-Cycloheptylpentyl)aminoethanethiol sulfate
- Molecular formula
- C14H29NO3S2
- Molecular weight
- 323.52
Names & synonyms
BRN 2984040S-2-((5-Cycloheptylpentyl)amino)ethyl thiosulfate21209-14-32-((5-Cycloheptylpentyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(5-cycloheptylpentyl)amino-, hydrogen sulfate (ester)RefChem:340496s-{2-[(5-cycloheptylpentyl)amino]ethyl} hydrogen sulfurothioateDTXSID80943567Reaxys ID: 29840402-(5-Cycloheptylpentyl)aminoethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[(5-cycloheptylpentyl)amino]ethyl] ester
Database identifiers
- CAS
21209-14-3- PubChem CID
- 210290
- DTXSID
DTXSID80943567- Nikkaji
- J77.498G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…