Formula |
C16H12F3N3S |
IUPAC Name |
(z)-3-amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile |
Molecular Mass |
335.347 g·mol−1 |
Heat of Formation |
-316.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.20 ± 1.08 D |
Volume |
370.13 Å 3 |
Surface Area |
315.15 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
-0.99 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (z)-3-amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
- (z)-3-amino-3-[(4-aminophenyl)thio]-2-[2-(trifluoromethyl)phenyl]acrylonitrile
- (z)-3-amino-3-[(4-aminophenyl)thio]-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
- hsci1_000044
- k00090
- mek1/2 inhibitor
- sl327
- z-& e-a-(amino-((4-aminophenyl)thio)methylene)-2-(trifluoromethyl)benzeneacetonitrile
- z-& e-alpha-(amino-((4-aminophenyl)thio)methylene)-2-(trifluoromethyl)benzeneacetonitrile
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InChIKey |
JLOXTZFYJNCPIS-FYWRMAATSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
N
C
F
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