Basic information
- CAS
62616-64-2- Standard SMILES
O=S(c1ncccn1)c1nnc(C(F)(F)F)s1- InChIKey
LGIINCUMMCPVMH-UHFFFAOYSA-N- Molecular formula
- C7H3F3N4OS2
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 279.97003757
Names & identifiers
- Preferred name
- 2-[5-(Trifluoromethyl)-1,3,4-thiadiazole-2-sulfinyl]pyrimidine
- IUPAC
- 2-pyrimidin-2-ylsulfinyl-5-(trifluoromethyl)-1,3,4-thiadiazole
Names & synonyms
62616-64-2DTXSID208068442-[5-(Trifluoromethyl)-1,3,4-thiadiazole-2-sulfinyl]pyrimidine
Database identifiers
- CAS
62616-64-2- PubChem CID
- 71384591
- DTXSID
DTXSID20806844
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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