Carbamic acid, [2-[(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]-5-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
Basic information
- CAS
109133-95-1- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1C=C1NC(=S)NC1=O- InChIKey
PSUYNDKQLMGGMH-UHFFFAOYSA-N- Molecular formula
- C16H16F3N3O3S
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.08644704
Names & identifiers
- Preferred name
- Carbamic acid, [2-[(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]-5-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[2-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-5-(trifluoromethyl)phenyl]carbamate
Names & synonyms
DTXSID001106073109133-95-1Carbamic acid, [2-[(5-oxo-2-thioxo-4-imidazolidinylidene)methyl]-5-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
109133-95-1- PubChem CID
- 165367172
- DTXSID
DTXSID001106073
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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