Basic information
- CAS
104071-81-0- Standard SMILES
O=C([O-])C(F)(F)F.[NH3+]CC(=O)NCCSC(=O)C(Cl)(Cl)Cl- InChIKey
OYTCVCCQKAIMCC-UHFFFAOYSA-N- Molecular formula
- C8H10Cl3F3N2O4S
- Average molar mass
- 393.6 g/mol
- Monoisotopic mass
- 391.937896
Names & identifiers
- Preferred name
- Acetic acid, trichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
- IUPAC
- [2-oxo-2-[2-(2,2,2-trichloroacetyl)sulfanylethylamino]ethyl]azanium;2,2,2-trifluoroacetate
Names & synonyms
ACETIC ACID, TRICHLOROTHIO-, S-2-(2-AMINOACETAMIDO)ETHYL ESTER, TRIFLUOROACETATETrichlorothioacetic acid S-2-(2-aminoacetamido)ethyl ester trifluoroacetate104071-81-0DTXSID10146241RefChem:316720DTXCID50687322-Oxo-2-({2-[(trichloroacetyl)sulfanyl]ethyl}amino)ethan-1-aminium trifluoroacetate
Database identifiers
- CAS
104071-81-0- PubChem CID
- 59810
- DTXSID
DTXSID10146241
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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