10-Methyl-2,2'-bis(trifluoromethyl)-10H-3,10'-biphenothiazine
Basic information
- CAS
52704-73-1- Standard SMILES
CN1c2ccccc2Sc2cc(N3c4ccccc4Sc4ccc(C(F)(F)F)cc43)c(C(F)(F)F)cc21- InChIKey
HCHGTPHGGFVTDO-UHFFFAOYSA-N- Molecular formula
- C27H16F6N2S2
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 546.06590984
Names & identifiers
- Preferred name
- 10-Methyl-2,2'-bis(trifluoromethyl)-10H-3,10'-biphenothiazine
- IUPAC
- 10-methyl-2-(trifluoromethyl)-3-[2-(trifluoromethyl)phenothiazin-10-yl]phenothiazine
Names & synonyms
52704-73-1NSC295584DTXSID7031561810-METHYL-2,2'-BIS(TRIFLUOROMETHYL)-10H-3,10'-BIPHENOTHIAZINENSC-295584
Database identifiers
- CAS
52704-73-1- PubChem CID
- 325967
- DTXSID
DTXSID70315618
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 1
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 824
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Compound notes
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