Basic information
- Standard SMILES
CCOC(=O)N=c1sc(I)cn1-c1cccc(C(F)(F)F)c1- InChIKey
JUCTZOGCJBHKSX-UHFFFAOYSA-N- Molecular formula
- C13H10F3IN2O2S
- Average molar mass
- 442.2 g/mol
Names & identifiers
- Preferred name
- 2-Ethoxycarbonylimino-3-(3-trifluoromethylphenyl)-5-iodothiazoline
- IUPAC
- ethyl N-[5-iodo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]carbamate
Names & synonyms
2-ethoxycarbonylimino-3-(3-trifluoromethylphenyl)-5-iodothiazolineSCHEMBL90645422-ethoxycarbonylimino-3-(3-tri-fluoromethylphenyl)-5-iodothiazoline
Database identifiers
- PubChem CID
- 53974764
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Related reactions
3 records
Compound notes
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