Basic information
- CAS
102516-98-3- Standard SMILES
FC(F)(F)c1nc2ccc(SSc3ccc4nc(C(F)(F)F)[nH]c4c3)cc2[nH]1- InChIKey
BJIWXWHVTJMLCI-UHFFFAOYSA-N- Molecular formula
- C16H8F6N4S2
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.00945759
Names & identifiers
- Preferred name
- Benzimidazole, 5,5'-dithiobis(2-(trifluoromethyl)-
- IUPAC
- 2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]disulfanyl]-1H-benzimidazole
Names & synonyms
BENZIMIDAZOLE, 5,5'-DITHIOBIS(2-(TRIFLUOROMETHYL)-5,5'-Dithiobis(2-trifluoromethylbenzimidazole)102516-98-3DTXSID00145248RefChem:325919DTXCID8067739NSC659162NSC-6591622-(Trifluoromethyl)-6-((2-(trifluoromethyl)-1H-benzimidazol-6-yl)dithio)-1H-benzimidazoleNCIStruc1_001822NCIStruc2_001973CHEMBL471005
Show more names
CCG-37739NCGC00014968NCI6591622-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]disulfanyl]-1H-benzimidazoleNCGC00014968-02NCGC00098068-01NCI60_0208301H-Benzimidazole,5'-dithiobis[2-(trifluoromethyl)-
Database identifiers
- CAS
102516-98-3- PubChem CID
- 59453
- DTXSID
DTXSID00145248- ChEMBL
CHEMBL471005- Nikkaji
- J69.213A
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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