Basic information
- CAS
786595-20-8- Standard SMILES
O=C(NCCSS(=O)(=O)O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ORDIGWFKXCZFTD-UHFFFAOYSA-N- Molecular formula
- C11H10F13NO5S2
- Average molar mass
- 547.3 g/mol
- Monoisotopic mass
- 546.9792809
Names & identifiers
- Preferred name
- 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(2-sulfosulfanylethylcarbamoyloxy)octane
Names & synonyms
DTXSID308686503,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate786595-20-83,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfosulfanyl)ethyl]carbamate
Database identifiers
- CAS
786595-20-8- PubChem CID
- 174264
- DTXSID
DTXSID30868650
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 763
Experimental & physicochemical properties
PFASPFAS -> Other/unspecified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…