Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
Basic information
- CAS
97314-07-3- Standard SMILES
O=C([O-])C(F)(F)F.[NH3+]CC(=O)NCCSC(=O)C(Cl)Cl- InChIKey
IBMQJOFNRUSBDX-UHFFFAOYSA-N- Molecular formula
- C8H11Cl2F3N2O4S
- Average molar mass
- 359.15 g/mol
- Monoisotopic mass
- 357.9768679
Names & identifiers
- Preferred name
- Acetic acid, dichlorothio-, S-2-(2-aminoacetamido)ethyl ester, trifluoroacetate
- IUPAC
- [2-[2-(2,2-dichloroacetyl)sulfanylethylamino]-2-oxoethyl]azanium;2,2,2-trifluoroacetate
Names & synonyms
ACETIC ACID, DICHLOROTHIO-, S-2-(2-AMINOACETAMIDO)ETHYL ESTER, TRIFLUOROACETATEDichlorothioacetic acid S-2-(2-aminoacetamido)ethyl ester trifluoroacetate97314-07-3DTXSID80242860RefChem:316606DTXCID101653512-({2-[(Dichloroacetyl)sulfanyl]ethyl}amino)-2-oxoethan-1-aminium trifluoroacetate
Database identifiers
- CAS
97314-07-3- PubChem CID
- 57220
- DTXSID
DTXSID80242860
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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