CID 6806941
Basic information
- CAS
478043-98-0- Standard SMILES
CCSC1=Nc2ccccc2C1=NNc1cccc(C(F)(F)F)c1- InChIKey
OBFQWUQCAKXZHD-UHFFFAOYSA-N- Molecular formula
- C17H14F3N3S
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- CID 6806941
- IUPAC
- N-[(2-ethylsulfanylindol-3-ylidene)amino]-3-(trifluoromethyl)aniline
- English name
- 2-(Ethylsulfanyl)-3H-indol-3-one N-[3-(trifluoromethyl)phenyl]hydrazone
- Molecular formula
- C17H14F3N3S
- Molecular weight
- 349.38
Names & synonyms
3H-Indol-3-one, 2-(ethylthio)-, 2-[3-(trifluoromethyl)phenyl]hydrazone2-(Ethylsulfanyl)-3H-indol-3-one N-[3-(trifluoromethyl)phenyl]hydrazone(3Z)-2-(ethylsulfanyl)-3-{2-[3-(trifluoromethyl)phenyl]hydrazin-1-ylidene}-3H-indole
Database identifiers
- CAS
478043-98-0
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Boiling point
- 446.7 · 446.7±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 10.01 · 10.01±0.40(Predicted)
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Related reactions
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Compound notes
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