Basic information
- CAS
62617-37-2- Standard SMILES
Cc1cc(C)cc(Sc2nnc(C(F)(F)F)s2)c1- InChIKey
YEANZRAEPYEITK-UHFFFAOYSA-N- Molecular formula
- C11H9F3N2S2
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.01592495
Names & identifiers
- Preferred name
- 2-[(3,5-Dimethylphenyl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole
- IUPAC
- 2-(3,5-dimethylphenyl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole
Names & synonyms
2-[(3,5-Dimethylphenyl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole62617-37-2SCHEMBL11615330DTXSID606052972-(3',5'-dimethylphenylthio)-5-trifluoromethyl-1,3,4-thiadiazole
Database identifiers
- CAS
62617-37-2- PubChem CID
- 20322892
- DTXSID
DTXSID60605297
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Related reactions
1 records
Compound notes
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