Basic information
- CAS
62616-68-6- Standard SMILES
O=S(=O)(c1cc(Cl)cc(Cl)c1)c1nnc(C(F)(F)F)s1- InChIKey
FMLGZZFKZQRXQH-UHFFFAOYSA-N- Molecular formula
- C9H3Cl2F3N2O2S2
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 361.8965096
Names & identifiers
- Preferred name
- 2-(3,5-Dichlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
- IUPAC
- 2-(3,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)-1,3,4-thiadiazole
Names & synonyms
2-(3,5-Dichlorobenzene-1-sulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole62616-68-6SCHEMBL11617515DTXSID406052952-(3',5'-dichlorophenylsulfonyl)-5-trifluoromethyl-1,3,4-thiadiazole
Database identifiers
- CAS
62616-68-6- PubChem CID
- 20322883
- DTXSID
DTXSID40605295
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 447
Related reactions
1 records
Compound notes
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