Basic information
- Standard SMILES
C=CC(O)(c1cnc(S)s1)C(F)(F)F- InChIKey
DHLMEJCHNBFQPD-UHFFFAOYSA-N- Molecular formula
- C7H6F3NOS2
- Average molar mass
- 241.3 g/mol
- Monoisotopic mass
- 240.98429065
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-2-(2-mercapto-1,3-thiazol-5-yl)but-3-en-2-ol
- IUPAC
- 5-(1,1,1-trifluoro-2-hydroxybut-3-en-2-yl)-3H-1,3-thiazole-2-thione
Names & synonyms
1,1,1-trifluoro-2-(2-mercapto-1,3-thiazol-5-yl)but-3-en-2-olSCHEMBL2988557
Database identifiers
- PubChem CID
- 59814867
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 313
Related reactions
2 records
Compound notes
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