Basic information
- CAS
126088-05-9- Standard SMILES
CCOC(=S)SC(=O)N=C(c1ccccc1)C(F)(F)F- InChIKey
DVVNYJSQEBNZFV-UHFFFAOYSA-N- Molecular formula
- C12H10F3NO2S2
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.0105054
Names & identifiers
- Preferred name
- Carbonodithioic acid, mono(anhydrosulfide) with (2,2,2-trifluoro-1-phenylethylidene)carbamothioic acid, O-ethyl ester
- IUPAC
- O-ethyl (2,2,2-trifluoro-1-phenylethylidene)carbamoylsulfanylmethanethioate
Names & synonyms
DTXSID101106119126088-05-9Carbonodithioic acid, mono(anhydrosulfide) with (2,2,2-trifluoro-1-phenylethylidene)carbamothioic acid, O-ethyl ester
Database identifiers
- CAS
126088-05-9- PubChem CID
- 165367175
- DTXSID
DTXSID101106119
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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