Formula |
C10H11F3N4S |
IUPAC Name |
1-(diaminomethylene)-2-[[3-(trifluoromethyl)phenyl]methyl]isothiourea |
Molecular Mass |
276.281 g·mol−1 |
Heat of Formation |
-440.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.25 ± 1.08 D |
Volume |
304.79 Å 3 |
Surface Area |
249.25 Å 2 |
HOMO Energy |
-9.51 ± 0.55 eV |
LUMO Energy |
1.82 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-{[n-(1-imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene
- 3-(trifluoromethyl)benzyl n-[(e)-amino(imino)methyl]imidothiocarbamate
- n-(diaminomethylene)-1-[[3-(trifluoromethyl)benzyl]thio]formamidine
- n-(diaminomethylene)-1-[[3-(trifluoromethyl)phenyl]methylsulfanyl]formamidine
- n-(diaminomethylene)-1-[[3-(trifluoromethyl)phenyl]methylthio]formamidine
- n-(diaminomethylidene)-1-[[3-(trifluoromethyl)phenyl]methylsulfanyl]methanimidamide
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InChIKey |
DWJNPCRXBNWCJC-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
C
F
S
N
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