Basic information
- Standard SMILES
Fc1cc(Cl)c(Sc2cc(-c3cnnn3C(F)(F)F)c(F)cc2Cl)cc1-c1cnnn1C(F)(F)F- InChIKey
YVRRVRASGQYXKF-UHFFFAOYSA-N- Molecular formula
- C18H6Cl2F8N6S
- Average molar mass
- 561.2 g/mol
- Monoisotopic mass
- 559.9623961
Names & identifiers
- Preferred name
- 1,1'-Thiodi-[2-chloro-4-fluoro-5-(3-trifluoromethyltriazolyl)benzene]
- IUPAC
- 5-[4-chloro-5-[2-chloro-4-fluoro-5-[3-(trifluoromethyl)triazol-4-yl]phenyl]sulfanyl-2-fluorophenyl]-1-(trifluoromethyl)triazole
Names & synonyms
1,1'-thiodi-[2-chloro-4-fluoro-5-(3-trifluoromethyltriazolyl)benzene]SCHEMBL3480512
Database identifiers
- PubChem CID
- 22170914
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 680
Related reactions
3 records
Linked notes
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