Basic information
- CAS
102516-97-2- Standard SMILES
FC(F)(F)c1nc2cc(SSc3cc4nc(C(F)(F)F)[nH]c4cc3Cl)c(Cl)cc2[nH]1- InChIKey
RBHOHJRBYLTTGS-UHFFFAOYSA-N- Molecular formula
- C16H6Cl2F6N4S2
- Average molar mass
- 503.3 g/mol
- Monoisotopic mass
- 501.9315129
Names & identifiers
- Preferred name
- Benzimidazole, 5,5'-dithiobis(6-chloro-2-(trifluoromethyl)-
- IUPAC
- 6-chloro-5-[[6-chloro-2-(trifluoromethyl)-1H-benzimidazol-5-yl]disulfanyl]-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
BENZIMIDAZOLE, 5,5'-DITHIOBIS(6-CHLORO-2-(TRIFLUOROMETHYL)-5,5'-Dithiobis(6-chloro-2-trifluoromethylbenzimidazole)102516-97-2DTXSID40145247RefChem:325920DTXCID3067738NSC663641CHEMBL1965624NSC-663641NCI60_021858Bis(5-chloro-2-(trifluoromethyl)-1H-benzimidazol-6-yl) disulfide5,5'-Disulfanediylbis[6-chloro-2-(trifluoromethyl)-1H-1,3-benzimidazole]
Show more names
5-Chloro-6-((5-chloro-2-(trifluoromethyl)-1H-benzimidazol-6-yl)dithio)-2-(trifluoromethyl)-1H-benzimidazole5-chloro-6-[[6-chloro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]disulfanyl]-2-(trifluoromethyl)-1H-benzimidazole
Database identifiers
- CAS
102516-97-2- PubChem CID
- 59452
- DTXSID
DTXSID40145247- ChEMBL
CHEMBL1965624- Nikkaji
- J69.212C
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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