Thiazole, 2-[(3-bromo-2,3,3-trifluoropropyl)thio]-
Basic information
- CAS
110003-28-6- Standard SMILES
FC(CSc1nccs1)C(F)(F)Br- InChIKey
AJPNQXZDIWCMMZ-UHFFFAOYSA-N- Molecular formula
- C6H5BrF3NS2
- Average molar mass
- 292.1 g/mol
- Monoisotopic mass
- 290.89989
Names & identifiers
- Preferred name
- Thiazole, 2-[(3-bromo-2,3,3-trifluoropropyl)thio]-
- IUPAC
- 2-(3-bromo-2,3,3-trifluoropropyl)sulfanyl-1,3-thiazole
Names & synonyms
Thiazole, 2-[(3-bromo-2,3,3-trifluoropropyl)thio]-110003-28-6SCHEMBL10363788AJPNQXZDIWCMMZ-UHFFFAOYSA-NDTXSID7010226182-(3-bromo-2,3,3-trifluoropropyl)sulfanyl-1,3-thiazole
Database identifiers
- CAS
110003-28-6- PubChem CID
- 53646367
- DTXSID
DTXSID701022618
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
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Compound notes
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