| Identification | Back Directory | [Name]
4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO | [CAS]
121235-90-3 | [Synonyms]
4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO
4-isothiocyanatophenyl 4-pentylbicyclo (2.2.2)oct
4-isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carb
4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate liquid crystal (nematic), 99% | [Molecular Formula]
C21H27NO2S | [MDL Number]
MFCD00213564 | [MOL File]
121235-90-3.mol | [Molecular Weight]
357.51 |
| Chemical Properties | Back Directory | [Melting point ]
73-113.5 °C(lit.) | [Boiling point ]
468.9±28.0 °C(Predicted) | [density ]
1.14±0.1 g/cm3(Predicted) | [form ]
liquid crystal (nematic) | [InChI]
1S/C21H27NO2S/c1-2-3-4-9-20-10-13-21(14-11-20,15-12-20)19(23)24-18-7-5-17(6-8-18)22-16-25/h5-8H,2-4,9-15H2,1H3/t20-,21- | [InChIKey]
BXZVNXOHCXCVAG-MEMLXQNLSA-N | [SMILES]
CCCCC[C@@]12CC[C@@](CC1)(CC2)C(=O)Oc3ccc(cc3)N=C=S |
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