Basic information
- CAS
93805-12-0- Standard SMILES
CCSCCSCC[NH3+].CCSCCSCC[NH3+].O=S(=O)([O-])[O-]- InChIKey
OOCOPSBBWPAGEN-UHFFFAOYSA-N- Molecular formula
- C12H32N2O4S5
- Average molar mass
- 428.7 g/mol
- Monoisotopic mass
- 428.09656337
Names & identifiers
- Preferred name
- 2-((2-(Ethylthio)ethyl)thio)ethylammonium sulphate (2:1)
- IUPAC
- bis(2-(2-ethylsulfanylethylsulfanyl)ethylazanium);sulfate
Names & synonyms
EINECS 298-493-22-((2-(Ethylthio)ethyl)thio)ethylammonium sulphate (2:1)93805-12-0NS00091960
Database identifiers
- CAS
93805-12-0- PubChem CID
- 44145331
- EC Number
- 298-493-2
Properties
Computed structural properties
- Topological polar surface area
- 245 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 113
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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