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| IUPAC Name: | 1-isothiocyanato-3-(trifluoromethylsulfanyl)benzene |
| Description: | 3-(Trifluoromethylthio)phenyl isothiocyanate (CAS# 42729-26-0 ) is a useful research chemical. |
| Molecular Weight: | 235.25 |
| Molecular Formula: | C8H4F3NS2 |
| Canonical SMILES: | C1=CC(=CC(=C1)SC(F)(F)F)N=C=S |
| InChI: | InChI=1S/C8H4F3NS2/c9-8(10,11)14-7-3-1-2-6(4-7)12-5-13/h1-4H |
| InChI Key: | ZVMPEUKZYDFXQN-UHFFFAOYSA-N |
| Boiling Point: | 230-244 °C (lit.) |
| Density: | 1.37 g/mL at 25 °C(lit.) |
| MDL: | MFCD02683531 |
| LogP: | 4.03280 |
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